Molecule Details
InChIKeyYLEQGEOHZFVIAR-QZUDQQPUSA-N
Compound Name(1R,2R,3S,4R,5S)-4-[2-chloro-6-[[(S)-cyclobutyl(cyclopropyl)methyl]amino]purin-9-yl]-1-(hydroxymethyl)bicyclo[3.1.0]hexane-2,3-diol
Canonical SMILESOC[C@@]12C[C@@H]1[C@@H](n1cnc3c(N[C@H](C4CCC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL6.84
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P41595 HTR2B Homo sapiens Human PF00001 7.5 Ki ChEMBL;BindingDB
P28335 HTR2C Homo sapiens Human PF00001 6.5 Ki ChEMBL;BindingDB
P30542 ADORA1 Homo sapiens Human PF00001 6.5 Ki ChEMBL;BindingDB