Molecule Details
InChIKeyNCWRSHWNMYHJMN-SJLPKXTDSA-N
Compound NameN-[(1R,3R)-3-[[7-[acetyl(ethyl)amino]-4-methoxy-1,3-benzothiazol-2-yl]carbamoyl]cyclopentyl]-3-(trifluoromethyl)benzamide
Canonical SMILESCCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CC[C@@H](NC(=O)c4cccc(C(F)(F)F)c4)C3)sc12
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL7.71
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P29275 ADORA2B Homo sapiens Human PF00001 8.1 IC50 ChEMBL;BindingDB
P29274 ADORA2A Homo sapiens Human PF00001 7.5 Ki ChEMBL;BindingDB
P30542 ADORA1 Homo sapiens Human PF00001 7.5 Ki ChEMBL;BindingDB