Molecule Details
InChIKeyLVKWUNFNJODDPV-XZOQPEGZSA-N
Compound Name1-[3,5-bis(trifluoromethyl)phenyl]-3-[(3S,4R)-4-(4-fluorophenyl)-1-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-3-yl]-1,3-dimethylurea
Canonical SMILESCN(C(=O)N(C)[C@@H]1CN(C(=O)N2CCN(S(C)(=O)=O)CC2)C[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL8.18
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P25103 TACR1 Homo sapiens Human PF00001 10.5 IC50 ChEMBL;BindingDB
P21452 TACR2 Homo sapiens Human PF00001 7.1 IC50 ChEMBL;BindingDB
P29371 TACR3 Homo sapiens Human PF00001 6.9 IC50 ChEMBL;BindingDB