Molecule Details
InChIKeySRTMONQYBOXBGE-UHFFFAOYSA-N
Compound Name4-(naphthalen-2-yl)-3-(2-(tetrahydro-2H-pyran-4-ylamino)pyridin-4-yl)-1-(1-(2,2,2-trifluoroethyl)piperidin-4-yl)-1H-1,2,4-triazol-5(4H)-one
Canonical SMILESO=c1n(C2CCN(CC(F)(F)F)CC2)nc(-c2ccnc(NC3CCOCC3)c2)n1-c1ccc2ccccc2c1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL6.75
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P53779 MAPK10 Homo sapiens Human PF00069 7.4 IC50 ChEMBL;BindingDB
P45984 MAPK9 Homo sapiens Human PF00069 6.8 IC50 ChEMBL;BindingDB
P45983 MAPK8 Homo sapiens Human PF00069 6.0 IC50 ChEMBL;BindingDB