Molecule Details
InChIKeyDVNMKMKQUAYZDJ-OFSOJUDTSA-N
Compound Name(2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-2-[(5S)-2-oxo-1-[(2,3,4,5,6-pentafluorophenyl)methyl]-5-phenyl-3,4-dihydro-1,4-benzodiazepin-5-yl]acetic acid
Canonical SMILESCc1cc(C)nc(O[C@H](C(=O)O)[C@@]2(c3ccccc3)NCC(=O)N(Cc3c(F)c(F)c(F)c(F)c3F)c3ccccc32)n1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)2
Pfam Stratification Homologous
Avg pChEMBL7.86
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (2)
Target Gene Organism Category Pfam pChEMBL Type Source
P25101 EDNRA Homo sapiens Human PF00001 8.2 IC50 ChEMBL;BindingDB
P24530 EDNRB Homo sapiens Human PF00001 7.5 IC50 ChEMBL;BindingDB