Drug Information

Drug General Information
Drug ID
D0KC9E
Former ID
DNC012158
Drug Name
3-(6-Amino-purin-9-yl)-6-o-tolyl-hexan-2-ol
Drug Type
Small molecular drug
Indication Discovery agent Investigative [525926]
Structure
Download
2D MOL

3D MOL
Formula
C18H23N5O
Canonical SMILES
CC1=CC=CC=C1CCCC(C(C)O)N2C=NC3=C2N=CN=C3N
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
InChIKey
GLTLCSYYROAISP-DZGCQCFKSA-N
PubChem Compound ID
9862110
Target and Pathway
Target(s) Adenosine deaminase Target Info Inhibitor [525926]
BioCyc Pathway 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
Pathway Interaction Database p73 transcription factor network
C-MYB transcription factor network
Validated transcriptional targets of deltaNp63 isoforms
Validated transcriptional targets of TAp63 isoforms
PathWhiz Pathway Purine Metabolism
Reactome Purine salvage
WikiPathways Metabolism of nucleotides
References
Ref 525926J Med Chem. 2000 Nov 30;43(24):4694-700.Adenosine deaminase inhibitors: synthesis and biological evaluation of unsaturated, aromatic, and oxo derivatives of (+)-erythro-9-(2'S-hydroxy-3'R-nonyl)adenine [(+)-EHNA].
Ref 525926J Med Chem. 2000 Nov 30;43(24):4694-700.Adenosine deaminase inhibitors: synthesis and biological evaluation of unsaturated, aromatic, and oxo derivatives of (+)-erythro-9-(2'S-hydroxy-3'R-nonyl)adenine [(+)-EHNA].

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.