Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0K1YY
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| Former ID |
DNC014336
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| Drug Name |
6-Benzylthioinosine
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| Synonyms |
6-Benzylthioinosine; NSC26273; 6-Benzylthionebularine; MLS002702829; CHEMBL178704; 6-Benzylthiopurine ribonucleoside; 6165-03-3; NSC-26273; 6-(benzylsulfanyl)-9-pentofuranosyl-9h-purine; AC1L3TX3; AC1Q4YP0; cid_95263; ChEMBL_299712; SCHEMBL15427008; CTK5B3520; NSC 26273; BDBM50159129; SMR001566656; NCI60_002098; AI3-50272; Inosine,6-S-(phenylmethyl)-6-thio- (9CI); 9H-Purine, 6-(benzylthio)-9-.beta.-D-ribofuranosyl-; 9H-Purine, 6-(benzylthio)-9-beta-D-ribofuranosyl- (8CI); 9H-Purine, 6-((phenylmethyl)thio)-9-beta-D-ribofuranosyl-
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C17H18N4O4S
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| Canonical SMILES |
C1=CC=C(C=C1)CSC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O
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| InChI |
1S/C17H18N4O4S/c22-6-11-13(23)14(24)17(25-11)21-9-20-12-15(21)18-8-19-16(12)26-7-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,22-24H,6-7H2
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| InChIKey |
OMJRXFOHHLLDFR-UHFFFAOYSA-N
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| CAS Number |
CAS 6165-03-3
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Adenosine kinase (ADK) | Target Info | Inhibitor | [1] |
| BioCyc | Superpathway of purine nucleotide salvage | |||
| Adenine and adenosine salvage II | ||||
| KEGG Pathway | Purine metabolism | |||
| Metabolic pathways | ||||
| Reactome | Purine salvage | |||
| WikiPathways | Metabolism of nucleotides | |||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Structure-activity relationships of carbocyclic 6-benzylthioinosine analogues as subversive substrates of Toxoplasma gondii adenosine kinase. Bioorg Med Chem. 2010 May 15;18(10):3403-12. | |||
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