Molecule Details
InChIKeyLRTINOCIDJSJPY-UHFFFAOYSA-N
Compound NameN-[4-methyl-3-(4-oxospiro[3,5-dihydro-1,5-benzoxazepine-2,4'-oxane]-8-yl)phenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide
Canonical SMILESCc1ccc(NC(=O)c2cc(C(F)(F)F)cnn2)cc1-c1ccc2c(c1)OC1(CCOCC1)CC(=O)N2
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL7.68
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P04049 RAF1 Homo sapiens Human PF00130 PF07714 PF02196 8.8 IC50 ChEMBL;BindingDB
P15056 BRAF Homo sapiens Human PF00130 PF07714 PF02196 8.1 IC50 ChEMBL;BindingDB
P05177 CYP1A2 Homo sapiens Human PF00067 6.1 IC50 ChEMBL;BindingDB