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91

Total database: 17430
Struktur (SMILES)
91 (100.0%)
Target
85 (93.4%)
Genomik
0 (0%)
Referensi
91 (100.0%)

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Hasil Pencarian (91)

Halaman 1 / 2
small molecule | CAS: 461-06-3

Constituent of striated muscle and liver. It is used therapeutically to stimulate gastric and pancreatic secretions and in the treatment of hyperlipoproteinemias. [PubChem]

Target Protein:
Carnitine O-acetyltransferasePeroxisomal carnitine O-octanoyltransferase
Waktu Paruh-
Vol. Distribusi-
Klirens-
Genetik -
(S)-Rolipram DB03606
small molecule | CAS: 85416-73-5

A phosphodiesterase inhibitor with antidepressant properties. [PubChem]

Target Protein:
3',5'-cyclic-AMP phosphodiesterase 4A3',5'-cyclic-AMP phosphodiesterase 4B3',5'-cyclic-AMP phosphodiesterase 4D
Waktu Paruh-
Vol. Distribusi-
Klirens-
Genetik -
small molecule | CAS: 3483-12-3

A reagent commonly used in biochemical studies as a protective agent to prevent the oxidation of SH (thiol) groups and for reducing disulphides to dithiols. [PubChem]

Target Protein:
Thymidylate synthaseTriosephosphate isomeraseMaleylacetoacetate isomerase +21
Waktu Paruh-
Vol. Distribusi-
Klirens-
Genetik -
small molecule | CAS: 84444-90-6

An alpha-glucosidase inhibitor with antiviral action. Derivatives of deoxynojirimycin may have anti-HIV activity. [PubChem]

Kategori:
AlkaloidsAnti-Infective AgentsCarbohydrates +5
Target Protein:
Alpha-mannosidase 2
Waktu Paruh-
Vol. Distribusi-
Klirens-
Genetik -
small molecule

Includes ortho-, meta-, and para-nitrophenylgalactosides. [PubChem]

Target Protein:
Beta-galactosidase
Waktu Paruh-
Vol. Distribusi-
Klirens-
Genetik -
small molecule | CAS: 1032-65-1

Deoxycytidine (dihydrogen phosphate). A deoxycytosine nucleotide containing one phosphate group esterified to the deoxyribose moiety in the 2'-,3'- or 5- positions. [PubChem]

Target Protein:
Thymidylate synthaseThymidylate synthaseDeoxycytidylate 5-hydroxymethyltransferase
Waktu Paruh-
Vol. Distribusi-
Klirens-
Genetik -
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
Waktu Paruh-
Vol. Distribusi-
Klirens-
Genetik -
small molecule | CAS: 102-32-9

A deaminated metabolite of levodopa. [PubChem]

Target Protein:
Penicillin G acylaseProtocatechuate 3,4-dioxygenase alpha chainProtocatechuate 3,4-dioxygenase beta chain +3
Waktu Paruh-
Vol. Distribusi-
Klirens-
Genetik -
small molecule | CAS: 300-39-0

A product from the iodination of MONOIODOTYROSINE. In the biosynthesis of thyroid hormones, diiodotyrosine residues are coupled with other monoiodotyrosine or diiodotyrosine residues to form T4 or T3 thyroid hormones (THYROXINE and TRIIODOTHYRONINE). [PubCh…

Kategori:
Antithyroid agentsThyroid Products
Target Protein:
cAMP-dependent protein kinase inhibitor alphacAMP-dependent protein kinase catalytic subunit alphaAlpha-amylase G-6 +3
Waktu Paruh-
Vol. Distribusi-
Klirens-
Genetik -
Adamantane DB03627
small molecule

A tricyclo bridged hydrocarbon. [PubChem]

Kategori:
Bridged-Ring CompoundsCycloparaffins
Target Protein:
Camphor 5-monooxygenase
Waktu Paruh-
Vol. Distribusi-
Klirens-
Genetik -
small molecule

Serves as the glycosyl donor for formation of bacterial glycogen, amylose in green algae, and amylopectin in higher plants. [PubChem]

Target Protein:
ADP-L-glycero-D-manno-heptose-6-epimerase
Waktu Paruh-
Vol. Distribusi-
Klirens-
Genetik -
small molecule | CAS: 53-42-9

The 5-beta-reduced isomer of androsterone. Etiocholanolone is a major metabolite of testosterone and androstenedione in many mammalian species including humans. It is excreted in the urine. [PubChem]

Target Protein:
Immunoglobulin heavy constant gamma 2Sulfotransferase 2A13-alpha-(or 20-beta)-hydroxysteroid dehydrogenase +1
Waktu Paruh-
Vol. Distribusi-
Klirens-
Genetik -
small molecule | CAS: 14215-68-0

The N-acetyl derivative of galactosamine. [PubChem]

Waktu Paruh-
Vol. Distribusi-
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Genetik -
small molecule | CAS: 17199-58-5

A narcotic analgesic with a long onset and duration of action. It is used mainly in the treatment of narcotic dependence. [PubChem]

Kategori:
AnalgesicsCentral Nervous System AgentsCentral Nervous System Depressants +6
Waktu Paruh-
Vol. Distribusi-
Klirens-
Genetik -
Aminohippuric acid Approved DB00345
small molecule | CAS: 61-78-9

The glycine amide of 4-aminobenzoic acid. Its sodium salt is used as a diagnostic aid to measure effective renal plasma flow (ERPF) and excretory capacity. [PubChem]

Kategori:
Acids, CarbocyclicAmidesAminobenzoates +17
Target Protein:
Organic anion transporter 3
Waktu Paruh-
Vol. Distribusi-
Klirens-
Genetik -
Aminolevulinic acid Approved DB00855
small molecule | CAS: 106-60-5

A compound produced from succinyl-CoA and glycine as an intermediate in heme synthesis. It is used as a photochemotherapy for actinic keratosis. [PubChem]

Kategori:
Amino AcidsAmino Acids, Peptides, and ProteinsAntineoplastic Agents +18
Target Protein:
Protoporphyrinogen oxidaseDelta-aminolevulinic acid dehydratase
Waktu ParuhThe mean ± SD elimi…
Vol. DistribusiIn healthy voluntee…
Klirens-
Genetik -
small molecule | CAS: 645-88-5

A compound that inhibits aminobutyrate aminotransferase activity in vivo, thereby raising the level of gamma-aminobutyric acid in tissues. [PubChem]

Kategori:
AcetatesAcids, AcyclicAmines +4
Target Protein:
Cystathionine beta-synthaseAlanine--glyoxylate aminotransferase
Waktu Paruh-
Vol. Distribusi-
Klirens-
Genetik -
small molecule | CAS: 506-32-1

An unsaturated, essential fatty acid. It is found in animal and human fat as well as in the liver, brain, and glandular organs, and is a constituent of animal phosphatides. It is formed by the synthesis from dietary linoleic acid and is a precursor in the bio…

Kategori:
Arachidonic AcidsCytochrome P-450 CYP2C9 SubstratesCytochrome P-450 Substrates +5
Target Protein:
Prostaglandin G/H synthase 1Peroxisome proliferator-activated receptor alphaBile acid receptor +2
Waktu Paruh-
Vol. Distribusi-
Klirens-
Genetik -
Arsanilic acid DB03006
small molecule | CAS: 98-50-0

An arsenical which has been used as a feed additive for enteric conditions in pigs and poultry. It causes blindness and is ototoxic and nephrotoxic in animals. [PubChem]

Kategori:
Adjuvants, ImmunologicAlkenesAnti-Infective Agents +10
Target Protein:
Lysozyme C
Waktu Paruh-
Vol. Distribusi-
Klirens-
Genetik -
small molecule | CAS: 17199-59-6

A narcotic analgesic with a long onset and duration of action. It is used mainly in the treatment of narcotic dependence. [PubChem]

Waktu Paruh-
Vol. Distribusi-
Klirens-
Genetik -
Biopterin DB03886
small molecule

A natural product that has been considered as a growth factor for some insects. [PubChem]

Kategori:
CoenzymesEnzymes and CoenzymesHeterocyclic Compounds, Fused-Ring +2
Target Protein:
Peptide deformylase, mitochondrialSepiapterin reductase6-pyruvoyl tetrahydrobiopterin synthase +1
Waktu Paruh-
Vol. Distribusi-
Klirens-
Genetik -
small molecule

A sulfur-containing analog of butyrylcholine which is hydrolyzed by butyrylcholinesterase to butyrate and thiocholine. It is used as a reagent in the determination of butyrylcholinesterase activity. [PubChem]

Kategori:
AminesCholinesterase substratesOnium Compounds +5
Target Protein:
Cholinesterase
Waktu Paruh-
Vol. Distribusi-
Klirens-
Genetik -
Carbenoxolone DB02329
small molecule | CAS: 5697-56-3

An agent derived from licorice root. It is used for the treatment of digestive tract ulcers, especially in the stomach. Antidiuretic side effects are frequent, but otherwise the drug is low in toxicity. [PubChem]

Kategori:
Alimentary Tract and MetabolismAnti-Ulcer AgentsDrugs for Acid Related Disorders +5
Target Protein:
11-beta-hydroxysteroid dehydrogenase 13-alpha-(or 20-beta)-hydroxysteroid dehydrogenase
Waktu Paruh-
Vol. Distribusi-
Klirens-
Genetik -
Cellobiose DB02061
small molecule | CAS: 528-50-7

A disaccharide consisting of two glucose units in beta (1-4) glycosidic linkage. Obtained from the partial hydrolysis of cellulose. [PubChem]

Kategori:
CarbohydratesCelluloseCompounds used in a research, industrial, or household setting +4
Target Protein:
Endoglucanase GEndoglucanase 5AEndoglucanase
Waktu Paruh-
Vol. Distribusi-
Klirens-
Genetik -
small molecule | CAS: 569-57-3

A powerful synthetic, non-steroidal estrogen. [PubChem]

Kategori:
Antineoplastic AgentsAntineoplastic Agents, HormonalBenzene Derivatives +9
Target Protein:
Estrogen receptor
Waktu Paruh-
Vol. Distribusi-
Klirens-
Genetik -
Cholic Acid Approved DB02659
small molecule | CAS: 81-25-4

A major primary bile acid produced in the liver and usually conjugated with glycine or taurine. It facilitates fat absorption and cholesterol excretion. [PubChem] Cholic acid, formulated as Cholbam capsules, is approved by the United States Food and Drug Adm…

Kategori:
Alimentary Tract and MetabolismBile Acid PreparationsBile acids and derivatives +17
Target Protein:
Phospholipase A2Ferrochelatase, mitochondrialLiver carboxylesterase 1 +19
Waktu Paruh-
Vol. Distribusi-
Klirens-
Genetik -
small molecule | CAS: 28319-77-9

A component of phosphatidylcholines (lecithins), in which the two hydroxy groups of glycerol are esterified with fatty acids. (From Stedman, 26th ed) It counteracts the effects of urea on enzymes and other macromolecules. [PubChem]

Kategori:
AlcoholsBiological ProductsCarbohydrates +14
Target Protein:
Muscarinic acetylcholine receptor M5Ganglioside GM2 activator
Waktu Paruh-
Vol. Distribusi-
Klirens-
Genetik -
Cyanamide DB02679
small molecule | CAS: 420-04-2

A cyanide compound which has been used as a fertilizer, defoliant and in many manufacturing processes. It often occurs as the calcium salt, sometimes also referred to as cyanamide. The citrated calcium salt is used in the treatment of alcoholism. [PubChem]

Kategori:
CarbodiimidesCyanidesImines +1
Target Protein:
Cathepsin KCarbonic anhydrase 2
Waktu Paruh-
Vol. Distribusi-
Klirens-
Genetik -
Cyclohexanol DB03703
small molecule | CAS: 108-93-0

Monohydroxy derivatives of cyclohexanes that contain the general formula R-C6H11O. They have a camphorlike odor and are used in making soaps, insecticides, germicides, dry cleaning, and plasticizers. [PubChem]

Kategori:
AlcoholsCyclohexanesCycloparaffins +3
Target Protein:
Beta-lactamaseAll-trans-retinol dehydrogenase [NAD(+)] ADH1B
Waktu Paruh-
Vol. Distribusi-
Klirens-
Genetik -
small molecule | CAS: 63-38-7

Cytidine 5'-(trihydrogen diphosphate). A cytosine nucleotide containing two phosphate groups esterified to the sugar moiety. Synonyms: CRPP; cytidine pyrophosphate. [PubChem]

Target Protein:
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase3-deoxy-manno-octulosonate cytidylyltransferase2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase +3
Waktu Paruh-
Vol. Distribusi-
Klirens-
Genetik -
small molecule

A nucleoside monophosphate sugar which donates N-acetylneuraminic acid to the terminal sugar of a ganglioside or glycoprotein. [PubChem]

Target Protein:
N-acylneuraminate cytidylyltransferase
Waktu Paruh-
Vol. Distribusi-
Klirens-
Genetik -
small molecule | CAS: 65-47-4

Cytidine 5'-(tetrahydrogen triphosphate). A cytosine nucleotide containing three phosphate groups esterified to the sugar moiety. [PubChem]

Target Protein:
P2Y purinoceptor 43-deoxy-manno-octulosonate cytidylyltransferaseUridine-cytidine kinase 2 +6
Waktu Paruh-
Vol. Distribusi-
Klirens-
Genetik -
small molecule

A reagent commonly used in biochemical studies as a protective agent to prevent the oxidation of SH (thiol) groups and for reducing disulphides to dithiols. [PubChem]

Target Protein:
6,7-dimethyl-8-ribityllumazine synthase
Waktu Paruh-
Vol. Distribusi-
Klirens-
Genetik -
D-Aspartic Acid DB02655
small molecule | CAS: 1783-96-6

The D-isomer of aspartic acid. [PubChem]

Kategori:
Amino AcidsAmino Acids, AcidicAmino Acids, Dicarboxylic +1
Target Protein:
Glutamate receptor ionotropic, NMDA 2BGlutamate receptor ionotropic, NMDA 2AGlutamate receptor ionotropic, NMDA 1 +2
Waktu Paruh-
Vol. Distribusi-
Klirens-
Genetik -
D-Leucine DB01746
small molecule | CAS: 328-38-1

An essential branched-chain amino acid important for hemoglobin formation. [PubChem]

Waktu Paruh-
Vol. Distribusi-
Klirens-
Genetik -
D-Lysine DB03252
small molecule | CAS: 923-27-3

An essential amino acid. It is often added to animal feed. [PubChem]

Target Protein:
Alanine racemase, catabolicDiaminopimelate decarboxylase
Waktu Paruh-
Vol. Distribusi-
Klirens-
Genetik -
D-Phenylalanine DB02556
small molecule | CAS: 673-06-3

An essential aromatic amino acid that is a precursor of melanin; dopamine; noradrenalin (norepinephrine), and thyroxine. [PubChem]

Target Protein:
Kynurenine--oxoglutarate transaminase 1Corticoliberin
Waktu Paruh-
Vol. Distribusi-
Klirens-
Genetik -
D-Serine Approved DB03929
small molecule | CAS: 312-84-5

A non-essential amino acid occurring in natural form as the L-isomer. It is synthesized from GLYCINE or THREONINE. It is involved in the biosynthesis of PURINES; PYRIMIDINES; and other amino acids. [PubChem]

Target Protein:
Glutamate receptor ionotropic, NMDA 1Glycine receptor subunit alpha-1Serpin B3 +1
Waktu Paruh-
Vol. Distribusi-
Klirens-
Genetik -
D-Treitol DB03278
small molecule

A four-carbon sugar that is found in algae, fungi, and lichens. It is twice as sweet as sucrose and can be used as a coronary vasodilator. [PubChem]

Target Protein:
Formate acetyltransferase 1
Waktu Paruh-
Vol. Distribusi-
Klirens-
Genetik -
Dexrazoxane Approved DB00380
small molecule | CAS: 24584-09-6

An antimitotic agent with immunosuppressive properties. Dexrazoxane, the (+)-enantiomorph of razoxane, provides cardioprotection against anthracycline toxicity. It appears to inhibit formation of a toxic iron-anthracycline complex. [PubChem] The Food and Dru…

Kategori:
Cardiotonic AgentsCardiovascular AgentsCompounds used in a research, industrial, or household setting +12
Target Protein:
DNA topoisomerase 2-alphaDNA topoisomerase 2-beta
Waktu Paruh2.5 hours
Vol. Distribusi* 9 to 22.6 L/m^2
Klirens* 7.88 L/h/m2 [dose…
Genetik -
small molecule | CAS: 29096-93-3

At low concentrations, this compound inhibits reduction of conventional hydrophilic electron acceptors, probably acting as a plastoquinone antagonist. At higher concentrations, it acts as an electron acceptor, intercepting electrons either before or at the si…

Kategori:
BenzoquinonesQuinones
Target Protein:
Cytochrome fCytochrome b6-f complex subunit 5Cytochrome b6-f complex subunit 6 +5
Waktu Paruh-
Vol. Distribusi-
Klirens-
Genetik -
Dihydromorphine DB01565
small molecule | CAS: 509-60-4

A semisynthetic analgesic used in the study of narcotic receptors. It has abuse potential. [PubChem]

Kategori:
AlkaloidsAnalgesicsCentral Nervous System Agents +12
Target Protein:
Mu-type opioid receptorKappa-type opioid receptorDelta-type opioid receptor +2
Waktu Paruh-
Vol. Distribusi-
Klirens-
Genetik -
small molecule | CAS: 96-26-4

A ketotriose compound. Its addition to blood preservation solutions results in better maintenance of 2,3-diphosphoglycerate levels during storage. It is readily phosphorylated to dihydroxyacetone phosphate by triokinase in erythrocytes. In combination with na…

Kategori:
CarbohydratesKetosesMonosaccharides +1
Target Protein:
Dihydroxyacetone kinase
Waktu Paruh-
Vol. Distribusi-
Klirens-
Genetik -
Diprenorphine DB01548
small molecule | CAS: 14357-78-9

A narcotic antagonist similar in action to naloxone. It is used to remobilize animals after etorphine neuroleptanalgesia and is considered a specific antagonist to etorphine. [PubChem]

Kategori:
AlkaloidsCentral Nervous System AgentsHeterocyclic Compounds, Fused-Ring +6
Target Protein:
Mu-type opioid receptorDelta-type opioid receptorKappa-type opioid receptor +1
Waktu Paruh-
Vol. Distribusi-
Klirens-
Genetik -
small molecule | CAS: 6892-68-8

A compound that, along with its isomer, Cleland's reagent (dithiothreitol), is used for the protection of sulfhydryl groups against oxidation to disulfides and for the reduction of disulfides to sulfhydryl groups. [PubChem]

Kategori:
AlcoholsCarbohydratesCompounds used in a research, industrial, or household setting +6
Target Protein:
Listeriolysin regulatory protein6,7-dimethyl-8-ribityllumazine synthaseThymidine kinase, cytosolic
Waktu Paruh-
Vol. Distribusi-
Klirens-
Genetik -
Ethylestrenol DB01493
small molecule | CAS: 965-90-2

An anabolic steroid with some progestational activity and little androgenic effect. [PubChem]

Kategori:
Alimentary Tract and MetabolismAnabolic AgentsAnabolic Agents for Systemic Use +9
Target Protein:
Androgen receptor
Waktu Paruh-
Vol. Distribusi-
Klirens-
Genetik -
Flavoxate Approved DB01148
small molecule | CAS: 15301-69-6

A drug that has been used in various urinary syndromes and as an antispasmodic. Its therapeutic usefulness and its mechanism of action are not clear. It may have local anesthetic activity and direct relaxing effects on smooth muscle as well as some activity a…

Kategori:
Agents producing tachycardiaAnticholinergic AgentsAutonomic Agents +15
Target Protein:
Muscarinic acetylcholine receptor M1Muscarinic acetylcholine receptor M5Muscarinic acetylcholine receptor M2
Waktu Paruh-
Vol. Distribusi-
Klirens-
Genetik -
small molecule

Adenylic acid. Adenine nucleotide containing one phosphate group esterified to the sugar moiety in the 2'-, 3'-, or 5'-position. [PubChem]

Target Protein:
NH(3)-dependent NAD(+) synthetaseGlycerol kinase
Waktu Paruh-
Vol. Distribusi-
Klirens-
Genetik -
small molecule | CAS: 640-79-9

A bile salt formed in the liver from chenodeoxycholate and glycine, usually as the sodium salt. It acts as a detergent to solubilize fats for absorption and is itself absorbed. It is a cholagogue and choleretic. [PubChem]

Kategori:
Amino AcidsAmino Acids, Peptides, and ProteinsBile Acids and Salts +12
Target Protein:
7-alpha-hydroxysteroid dehydrogenase
Waktu Paruh-
Vol. Distribusi-
Klirens-
Genetik -
Guanabenz Approved DB00629
small molecule | CAS: 5051-62-7

An alpha-2 selective adrenergic agonist used as an antihypertensive agent. [PubChem]

Kategori:
Adrenergic AgentsAdrenergic AgonistsAdrenergic alpha-2 Receptor Agonists +11
Target Protein:
Alpha-2A adrenergic receptorAlpha-2B adrenergic receptor
Waktu Paruh6 hours.
Vol. Distribusi-
Klirens-
Genetik -
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