Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0S0PI
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| Former ID |
DNC001624
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| Drug Name |
Nitrobenzylthioinosine
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| Synonyms |
Oprea1_621177; ZINC13818312; AC1Q1ZDM; AC1L1JO9; SCHEMBL290702; CHEMBL306550; 4-Nitrobenzyl-6-mercaptoinosine; 6-[(4-nitrobenzyl)sulfanyl]-9-pentofuranosyl-9h-purine; CTK8G3023; MolPort-003-721-850; HMS3370O01; AKOS021983903; MCULE-8321028996; TRA0060654; S-(p-NITROBENZYL)-6-THIOINOSINE; NCGC00163303-01; NCGC00015732-02; ST085314; S-(4-Nitrobenzyl)-6-thioinosine (NBTI, NBMPR); SR-01000393938; SR-01000393938-1; 6-[(4-nitrobenzyl)thio]-9- beta-D
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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 |
C17H17N5O6S
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| Canonical SMILES |
C1=CC(=CC=C1CSC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)[N+](=O)[O-]
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| InChI |
1S/C17H17N5O6S/c23-5-11-13(24)14(25)17(28-11)21-8-20-12-15(21)18-7-19-16(12)29-6-9-1-3-10(4-2-9)22(26)27/h1-4,7-8,11,13-14,17,23-25H,5-6H2
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| InChIKey |
DYCJFJRCWPVDHY-UHFFFAOYSA-N
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| CAS Number |
CAS 38048-32-7
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Solute carrier family 29 member 1 (SLC29A1) | Target Info | Inhibitor | [2] |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4512). | |||
| REF 2 | The role of human nucleoside transporters in uptake of 3'-deoxy-3'-fluorothymidine. Mol Pharmacol. 2008 Nov;74(5):1372-80. | |||
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