Molecule Details
InChIKeyPNOVIOUSABCJCS-UHFFFAOYSA-N
Compound Name10-(2-methyl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-5,6-dihydro-[1,2,4]triazolo[4,3-d][1,4]benzoxazepin-3-amine
Canonical SMILESCc1cc(-c2ccc3c(c2)-c2nnc(Nc4cccc(C(F)(F)F)c4)n2CCO3)ccn1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL6.7
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
Q7Z601 GPR142 Homo sapiens Human PF00001 7.2 IC50 ChEMBL;BindingDB
P10635 CYP2D6 Homo sapiens Human PF00067 6.5 IC50 ChEMBL;BindingDB
Q12809 KCNH2 Homo sapiens Human PF00027 PF00520 PF13426 6.4 IC50 ChEMBL;BindingDB