Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0KC9E
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| Former ID |
DNC012158
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| Drug Name |
3-(6-Amino-purin-9-yl)-6-o-tolyl-hexan-2-ol
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| Synonyms |
CHEMBL42063; 3-(6-Amino-purin-9-yl)-6-o-tolyl-hexan-2-ol; SCHEMBL7458391; BDBM50070641; (2S,3R)-3-(6-Amino-purin-9-yl)-6-o-tolyl-hexan-2-ol
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C18H23N5O
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| Canonical SMILES |
CC1=CC=CC=C1CCCC(C(C)O)N2C=NC3=C(N=CN=C32)N
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| InChI |
1S/C18H23N5O/c1-12-6-3-4-7-14(12)8-5-9-15(13(2)24)23-11-22-16-17(19)20-10-21-18(16)23/h3-4,6-7,10-11,13,15,24H,5,8-9H2,1-2H3,(H2,19,20,21)/t13-,15+/m0/s1
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| InChIKey |
GLTLCSYYROAISP-DZGCQCFKSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Adenosine deaminase (ADA) | Target Info | Inhibitor | [1] |
| BioCyc | Purine nucleotides degradation | |||
| Purine deoxyribonucleosides degradation | ||||
| Purine ribonucleosides degradation to ribose-1-phosphate | ||||
| Adenosine nucleotides degradation | ||||
| Superpathway of purine nucleotide salvage | ||||
| Adenine and adenosine salvage III | ||||
| KEGG Pathway | Purine metabolism | |||
| Metabolic pathways | ||||
| Primary immunodeficiency | ||||
| NetPath Pathway | TCR Signaling Pathway | |||
| IL2 Signaling Pathway | ||||
| Panther Pathway | Adenine and hypoxanthine salvage pathway | |||
| Pathwhiz Pathway | Purine Metabolism | |||
| Pathway Interaction Database | p73 transcription factor network | |||
| C-MYB transcription factor network | ||||
| Validated transcriptional targets of deltaNp63 isoforms | ||||
| Validated transcriptional targets of TAp63 isoforms | ||||
| Reactome | Purine salvage | |||
| WikiPathways | Metabolism of nucleotides | |||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Adenosine deaminase inhibitors: synthesis and biological evaluation of unsaturated, aromatic, and oxo derivatives of (+)-erythro-9-(2'S-hydroxy-3'R... J Med Chem. 2000 Nov 30;43(24):4694-700. | |||
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