Molecule Details
InChIKeyBEQHYAAIFYRXLC-MXKWNSRKSA-N
Compound Name(1S,2R,3S,4R,5S)-4-[2-chloro-6-[di(cyclobutyl)methylamino]purin-9-yl]-1-(chloromethyl)bicyclo[3.1.0]hexane-2,3-diol
Canonical SMILESO[C@H]1[C@H](n2cnc3c(NC(C4CCC4)C4CCC4)nc(Cl)nc32)[C@H]2C[C@@]2(CCl)[C@H]1O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)4
Pfam Stratification Cross-Family
Avg pChEMBL6.53
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (4)
Target Gene Organism Category Pfam pChEMBL Type Source
P30542 ADORA1 Homo sapiens Human PF00001 6.9 Ki ChEMBL;BindingDB
P41595 HTR2B Homo sapiens Human PF00001 6.7 Ki ChEMBL
Q5BJF2 TMEM97 Homo sapiens Human PF05241 6.5 Ki ChEMBL;BindingDB
P28335 HTR2C Homo sapiens Human PF00001 6.0 Ki ChEMBL