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2677

Total database: 17430
Struktur (SMILES)
1588 (59.3%)
Target
1494 (55.8%)
Genomik
51 (1.9%)
Referensi
2677 (100.0%)

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Hasil Pencarian (2677)

Halaman 1 / 54
small molecule

(1S,2R,3S,4R,5R)-2,3,4-trihydroxy-N-octyl-6-oxa-8-azabicyclo[3.2.1]octane-8-carbothioamide is a solid. This compound belongs to the oxepanes. These are compounds containing an oxepane ring, which is an a seven-member saturated aliphatic heterocycle with one o…

Target Protein:
Beta-glucosidase A
Waktu Paruh-
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Genetik -
small molecule

Deskripsi belum tersedia.

Target Protein:
Phospholipase D
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(R)-Fluoxetine DB08472
small molecule | CAS: 100568-03-4

An N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine that has R configuration (the antidepressant drug fluoxetine is a racemate comprising equimolar amounts of (R)- and (S)-fluoxetine).

Target Protein:
Transporter
Waktu Paruh-
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Genetik -
small molecule | CAS: 4254-14-2

A clear, colorless, viscous organic solvent and diluent used in pharmaceutical preparations.

Target Protein:
Isocitrate dehydrogenase [NADP]Lysozyme C
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(S)-Fluoxetine DB08544
small molecule | CAS: 100568-02-3

An N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine that has S configuration (the antidepressant drug fluoxetine is a racemate comprising equimolar amounts of (R)- and (S)-fluoxetine).

Target Protein:
Transporter
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Genetik -
small molecule | CAS: 4254-15-3

(S)-propane-1,2-diol is a clear, colorless, viscous organic solvent and diluent used in pharmaceutical preparations.

Target Protein:
Isocitrate dehydrogenase [NADP]Sigma factor SigB regulation protein RsbQ
Waktu Paruh-
Vol. Distribusi-
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Genetik -
small molecule | CAS: 190079-18-6

1-Deoxy-D-xylulose 5-phosphate is a solid. This compound belongs to the pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups. The proteins that 1-Deoxy-D-xylulose 5-phosphate targets include 1…

Kategori:
CarbohydratesSugar Phosphates
Target Protein:
Pyridoxine 5'-phosphate synthase1-deoxy-D-xylulose 5-phosphate reductoisomerase
Waktu Paruh-
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1-Dodecanol DB06894
small molecule | CAS: 112-53-8

1-Dodecanol is a saturated 12-carbon fatty alcohol obtained from coconut oil fatty acids. It has a floral odor and is used in detergents, lubricating oils, and pharmaceuticals. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 5th ed)

Kategori:
AlcoholsFatty AlcoholsLipids
Target Protein:
SDS hydrolase SdsA1Fatty-acid amide hydrolase 1
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small molecule | CAS: 185435-28-3

Palmitoyloleoyl-phosphatidylglycerol was a component of Surfaxin, discontinued in 2017, which acted as a surfactant [FDA Label]. The product was meant to compensate for alveolar surfactant deficiency and reduce to likelihood of alveolar collapse leading to ac…

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small molecule | CAS: 28507-02-0

16-Bromoepiandrosterone is an injectable formulation of a compound called alpha-epi-bromide. It is a chemical relative of DHEA which was selected for development after it showed antiretroviral activity in laboratory tests.

Kategori:
17-KetosteroidsAdrenal Cortex HormonesAndrostanes +9
Target Protein:
Androgen receptorGlucose-6-phosphate 1-dehydrogenase
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small molecule | CAS: 156316-85-7

LR-103 is a naturally occurring D-hormone that is produced by the kidneys from vitamin D. LR-103 is one of the D-hormones produced from Hectorol. It is developed for the treatment of secondary hyperparathyroidism in patients with chronic kidney disease (CKD).…

Kategori:
CholestanesCholestenesFused-Ring Compounds +8
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1D09C3 DB05121
biotech | CAS: 791073-97-7

1D09C3, a monoclonal antibody against lymphoid cancers, is an anti-MHC (major histocompatibility complex) class II monoclonal antibody. The antibody was isolated in collaboration with MorphoSys from its HuCAL(R) library of human antibodies. 1D09C3 binds to ce…

Target Protein:
HLA-DR
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2'-Deoxyuridine DB02256
small molecule | CAS: 951-78-0

2'-Deoxyuridine. An antimetabolite that is converted to deoxyuridine triphosphate during DNA synthesis. Laboratory suppression of deoxyuridine is used to diagnose megaloblastic anemias due to vitamin B12 and folate deficiencies. [PubChem]

Target Protein:
Thymidine kinase, cytosolicThymidylate synthaseUridine phosphorylase +1
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small molecule | CAS: 120-78-5

2,2'-Dibenzothiazyl disulfide is an accelerator used in the processing process for natural and synthetic rubber and plastic regeneration. It is also a known allergen and dermatological sensitizer. Sensitivity to 2,2'-Dibenzothiazyl disulfide may be identif…

Kategori:
Cell-mediated ImmunityHeterocyclic Compounds, Fused-RingIncreased Histamine Release +4
Waktu Paruh-
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small molecule | CAS: 595-37-9

Deskripsi belum tersedia.

Kategori:
Acids, AcyclicFatty AcidsFatty Acids, Volatile +1
Target Protein:
Hemoglobin subunit alpha
Waktu Paruh-
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Genetik -
small molecule | CAS: 470-29-1

Deskripsi belum tersedia.

Target Protein:
Pantothenate synthetase
Waktu Paruh-
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2-deoxyglucose DB08831
small molecule | CAS: 154-17-6

2-deoxyglucose is predominantly used as a diagnostic agent in its radiolabelled form (fluorine-18 is used as the radiolabel). By using positron emission tomography (PET), radiolabelled 2-deoxyglucose can determine glucose metabolism, which is altered in disea…

Kategori:
Anti-Infective AgentsAntimetabolitesCarbohydrates +3
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small molecule | CAS: 20772-64-9

TIMBD is an azaresveratrol analog.

Kategori:
Benzene DerivativesBenzylidene Compounds
Target Protein:
Estrogen receptor betaEstrogen receptor
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small molecule

A 2-phosphoglyceric acid in which the glyceric acid moiety has D (R) configuration.

Target Protein:
2-dehydro-3-deoxyphosphooctonate aldolase2,3-bisphosphoglycerate-independent phosphoglycerate mutaseTriosephosphate isomerase +1
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small molecule | CAS: 74698-37-6

MDI-P has demonstrated potent anti-HIV activity. MDI-P has been shown to be effective in killing HIV in cell culture. HIV is the virus that causes acquired immune deficiency syndrome (AIDS). MDI-P is also a potential therapeutic agent for the treatment of the…

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3-Allylfentanyl DB09169
small molecule | CAS: 82208-84-2

3-allyfentanyl is a fentanyl derivative opioid that can cause itching, nausea and serious respiratory depression. Fentanyl and its analogs have killed thousands of people around the world as drugs of abuse.

Kategori:
Piperidines
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Genetik -
small molecule

Deskripsi belum tersedia.

Target Protein:
Aldo-keto reductase family 1 member C3
Waktu Paruh-
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Genetik -
small molecule | CAS: 820-11-1

Deskripsi belum tersedia.

Kategori:
Acids, AcyclicCarbohydratesHydroxy Acids +1
Target Protein:
Triosephosphate isomerase2,3-bisphosphoglycerate-independent phosphoglycerate mutasePhosphoglycerate mutase 2 +3
Waktu Paruh-
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Genetik -
small molecule

Deskripsi belum tersedia.

Target Protein:
Glucarate dehydratase
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Genetik -
small molecule | CAS: 64-13-1

Deskripsi belum tersedia.

Kategori:
Adrenergic AgonistsAdrenergic alpha-1 Receptor AgonistsAdrenergic alpha-Agonists +12
Target Protein:
Sodium-dependent dopamine transporterAlpha-1D adrenergic receptorSodium-dependent serotonin transporter +5
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Genetik -
small molecule | CAS: 583-92-6

Deskripsi belum tersedia.

Kategori:
Amino AcidsAmino Acids, NeutralAmino Acids, Peptides, and Proteins +2
Target Protein:
Aminotransferase
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small molecule | CAS: 16626-02-1

5-fluorotryptophan can be used as substrate analogue to study enzyme mechanisms by NMR spectroscopy.

Kategori:
Amino AcidsAmino Acids, AromaticAmino Acids, Cyclic +2
Target Protein:
Triosephosphate isomeraseGlutathione S-transferase Mu 1
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small molecule | CAS: 134-35-0

5-methyltetrahydrofolic acid is a methylated derivate of tetrahydrofolate. It is generated by methylenetetrahydrofolate reductase from 5,10-methylenetetrahydrofolate and used to recycle homocysteine back to methionine by 5-methyltetrahydrofolate-homocysteine …

Kategori:
CoenzymesEnzymes and CoenzymesFolic Acid and Derivatives +5
Target Protein:
Aminomethyltransferase, mitochondrial
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8-azaguanine DB01667
small molecule | CAS: 134-58-7

8-azaguanine is one of the early purine analogs showing antineoplastic activity. It functions as an antimetabolite and is easily incorporated into ribonucleic acids.

Kategori:
AntimetabolitesAntineoplastic AgentsAza Compounds +8
Target Protein:
Purine nucleoside phosphorylase
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99mTc-glucarate DB05810
small molecule

99mTc-glucarate(GLA) is an agent for non-invasive detection of breast tumours.

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Abacavir Approved DB01048
small molecule | CAS: 136470-78-5

Abacavir (ABC) is a powerful nucleoside analog reverse transcriptase inhibitor (NRTI) used to treat HIV and AIDS. Chemically, it is a synthetic carbocyclic nucleoside and is the enantiomer with 1S, 4R absolute configuration on the cyclopentene ring. In vivo, …

Kategori:
Anti-HIV AgentsAnti-Infective AgentsAnti-Retroviral Agents +22
Target Protein:
Reverse transcriptase/RNaseHGag-Pol polyprotein
Gen Terkait:
HCP5
Waktu Paruh1.54 ± 0.63 hours
Vol. Distribusi* 0.86 ± 0.15 L/kg …
Klirens* 0.80 ± 0.24 L/hr/…
Genetik 1 Varian
Abaloparatide Approved DB05084
biotech | CAS: 247062-33-5

Abaloparatide is an N-terminal analog of parathyroid hormone-related protein (PTHrP) [A256778] and an agonist at the parathyroid hormone type 1 (PTH1) receptor.[L740] It is a synthetic 34 amino acid peptide with 41% homology to human parathyroid hormone 1-34 …

Kategori:
Amino Acids, Peptides, and ProteinsAnalogs/DerivativesBiological Factors +13
Target Protein:
Parathyroid hormone/parathyroid hormone-related peptide receptor
Waktu ParuhThe mean half-life …
Vol. DistribusiThe volume of distr…
KlirensThe mean apparent t…
Genetik -
Abametapir Approved DB11932
small molecule | CAS: 1762-34-1

Abametapir is a novel pediculicidal metalloproteinase inhibitor used to treat infestations of head lice.[L15153] The life cycle of head lice (_Pediculus capitis_) is approximately 30 days, seven to twelve of which are spent as eggs laid on hair shafts near th…

Kategori:
Antiparasitic Products, Insecticides and RepellentsCytochrome P-450 CYP1A2 InhibitorsCytochrome P-450 CYP1A2 Inhibitors (strength unknown) +13
Waktu ParuhThe elimination hal…
Vol. DistribusiData regarding the …
KlirensThe clearance and e…
Genetik -
Abemaciclib Approved DB12001
small molecule | CAS: 1231929-97-7

Abemaciclib is an antitumor agent and dual inhibitor of cyclin-dependent kinases 4 (CDK4) and 6 (CDK6) that are involved in the cell cycle and promotion of cancer cell growth in case of unregulated activity. On September 28, 2017, FDA granted approval of abem…

Kategori:
AminesAntineoplastic AgentsAntineoplastic and Immunomodulating Agents +36
Target Protein:
Cyclin-dependent kinase 4Cyclin-dependent kinase 6
Waktu ParuhThe mean plasma eli…
Vol. DistribusiThe geometric mean …
KlirensThe geometric mean …
Genetik -
Abicipar Pegol DB12258
biotech | CAS: 1327278-94-3

Abicipar Pegol has been used in trials studying the treatment of Macular Edema and Macular Degeneration.

Kategori:
Amino Acids, Peptides, and ProteinsAntineovascularisation AgentsOcular Vascular Disorder Agents +5
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Abiraterone Approved DB05812
small molecule | CAS: 154229-19-3

Abiraterone is a potent, irreversible, and selective inhibitor of 17 ?hydroxylase/C17,20-lyase (CYP17), an enzyme expressed in testicular, adrenal, and prostatic tumour tissues, to regulate androgen biosynthesis.[A3811, A260880, L40968] Abiraterone was first …

Kategori:
AndrostanesAndrostenesAntineoplastic Agents +32
Target Protein:
Steroid 17-alpha-hydroxylase/17,20 lyase
Waktu ParuhIn patients with mC…
Vol. DistribusiThe mean (± SD) app…
Klirens-
Genetik -
small molecule | CAS: 2486052-18-8

Abiraterone decanoate is under investigation in clinical trial NCT04729114 (Open-label, Multicenter Study of Intramuscular PRL-02 Depot in Patients With Advanced Prostate Cancer).

Kategori:
Cytochrome P450 17A1 Inhibitors
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Abivertinib DB15327
small molecule | CAS: 1557267-42-1

Abivertinib is a tyrosine kinase inhibitor targeted against mutant forms of both human epidermal growth factor receptor (EGFR) and Bruton's tyrosine kinase (BTK).[L17383] It has been investigated for use in the treatment of non-small cell lung cancer (NSCLC) …

Kategori:
Acids, AcyclicAcrylatesAmides +4
Target Protein:
Epidermal growth factor receptorTyrosine-protein kinase BTK
Waktu Paruh-
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Abrocitinib Approved DB14973
small molecule | CAS: 1622902-68-4

Abrocitinib is an oral small-molecule inhibitor of Janus kinase 1 (JAK1). Janus kinases are intracellular enzymes involved in transduction pathways that regulate hematopoiesis and immune cell function.[L39774] The Janus kinase (JAK)–signal transducer and acti…

Kategori:
Agents for Dermatitis, Excluding CorticosteroidsAmidesCytochrome P-450 CYP2B6 Substrates +17
Target Protein:
Tyrosine-protein kinase JAK1Tyrosine-protein kinase JAK2Tyrosine-protein kinase JAK3 +1
Waktu ParuhThe mean eliminatio…
Vol. DistribusiAfter intravenous a…
KlirensThere is no informa…
Genetik -
ABT-288 DB15192
small molecule | CAS: 948845-91-8

ABT-288 is under investigation in clinical trial NCT01018875 (Efficacy and Safety Study of ABT-288 in Subjects With Mild-to-Moderate Alzheimer's Disease).

Kategori:
Histamine Antagonists
Target Protein:
Histamine H3 receptor
Waktu Paruh-
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ABT-510 DB05434
small molecule | CAS: 251579-55-2

ABT-510 is a peptide mimetic of thrombospondin-1 (TSP-1), blocks angiogenesis in vitro and in vivo, and slows tumor growth. It is developed by Abbott Laboratories for the treatment of Solid Tumors, Lymphoma and Melanoma.

Kategori:
Amino Acids, Peptides, and ProteinsPeptides
Target Protein:
Thrombospondin-1Fibroblast growth factor 2Hepatocyte growth factor +2
Waktu Paruh-
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ABX-464 DB14828
small molecule | CAS: 1258453-75-6

ABX-464 is under investigation in clinical trial NCT03905109 (Safety Evaluation of ABX464 in Patients With Moderate to Severe Active Crohn's Disease).

Kategori:
Heterocyclic Compounds, Fused-Ring
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ABX-PTH DB05883
biotech

ABX-PTH is a fully human monoclonal antibody generated by Abgenix's technology platform. This drug targets and neutralizes the action of parathyroid hormone (PTH) for the treatment of a secondary hyperparathyroidism.

Target Protein:
Parathyroid hormone
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Acalabrutinib Approved DB11703
small molecule | CAS: 1420477-60-6

To date, acalabrutinib has been used in trials studying the treatment of B-All, myelofibrosis, ovarian cancer, multiple myeloma, and Hodgkin lymphoma, among others. As of October 31, 2017 the FDA approved Astra Zeneca's orally administered Calquence (acala…

Kategori:
Acids, CarbocyclicAmidesAntineoplastic Agents +19
Target Protein:
Tyrosine-protein kinase BTK
Waktu ParuhAfter administering…
Vol. DistribusiThe mean steady-sta…
KlirensAcalabrutinib's mea…
Genetik -
Acamprosate Approved DB00659
small molecule | CAS: 77337-76-9

Alcohol use disorder is responsible for a large worldwide burden of morbidity, premature mortality, and economic consequences resulting from accidents, violence, incarceration, decreased productivity, and increased healthcare spending.[A229073] Acamprosate…

Kategori:
Alcohol DeterrentsCentral Nervous System AgentsDrugs Used in Addictive Disorders +8
Target Protein:
Glutamate (NMDA) receptorMetabotropic glutamate receptor 5Gamma-aminobutyric acid type B receptor subunit 1
Waktu ParuhIn pharmacokinetic …
Vol. DistribusiAt steady state con…
KlirensSevere renal insuff…
Genetik -
Acapatamab DB18838
biotech | CAS: 2314491-93-3

Acapatamab is under investigation in clinical trial NCT04631601 (Safety and Efficacy of Therapies for Metastatic Castration-resistant Prostate Cancer (Mcrpc)).

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Acarbose Approved DB00284
small molecule | CAS: 56180-94-0

Acarbose is a complex oligosaccharide that acts as an inhibitor of several enzymes responsible for the breakdown of complex carbohydrates in the intestines. It inhibits both pancreatic alpha-amylase and membrane-bound alpha-glucosidases - including intestinal…

Kategori:
Alimentary Tract and MetabolismBlood Glucose Lowering AgentsCarbohydrates +9
Target Protein:
Maltase-glucoamylaseSucrase-isomaltase, intestinalPancreatic alpha-amylase +1
Waktu ParuhIn healthy voluntee…
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Genetik -
Aceclofenac Approved DB06736
small molecule | CAS: 89796-99-6

Aceclofenac is an oral non-steroidal anti-inflammatory drug (NSAID) with marked anti-inflammatory and analgesic properties used to treat osteoarthritis, rheumatoid arthritis and ankylosing spondylitis. It is reported to have a higher anti-inflammatory action …

Kategori:
Acetic Acid Derivatives and Related SubstancesAcids, CarbocyclicAgents causing hyperkalemia +20
Target Protein:
Prostaglandin G/H synthase 2Prostaglandin G/H synthase 1
Waktu ParuhThe mean plasma eli…
Vol. DistribusiThe volume of distr…
KlirensThe mean clearance …
Genetik -
Acemetacin Approved DB13783
small molecule | CAS: 53164-05-9

Acemetacin is a carboxymethyl ester of indometacin. It is a potent non-steroidal anti-inflammatory drug, derived from the indol-3-acetic acid, whose activity is thought to be mainly through its active metabolite indomethacin.[A31352] In clinical trials, aceme…

Kategori:
Acetic Acid Derivatives and Related SubstancesAgents causing hyperkalemiaAgents that produce hypertension +16
Target Protein:
Prostaglandin G/H synthase 1Prostaglandin G/H synthase 2
Waktu ParuhThe elimination hal…
Vol. DistribusiThe apparent volume…
KlirensIntravenous adminis…
Genetik -
Acenocoumarol Approved DB01418
small molecule | CAS: 152-72-7

Acenocoumarol is a coumarin derivative used as an anticoagulant. Coumarin derivatives inhibit the reduction of vitamin K by vitamin K reductase. This prevents carboxylation of vitamin K-dependent clotting factors, II, VII, IX and X, and interferes with coagul…

Kategori:
4-HydroxycoumarinsAnticoagulantsBenzopyrans +19
Target Protein:
Vitamin K epoxide reductase complex subunit 1
Gen Terkait:
CYP2C9 CYP2C9 CYP2C9 +2
Waktu Paruh8 to 11 hours.
Vol. DistribusiThe volume of distr…
Klirens-
Genetik 5 Varian
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