Molecule Details
InChIKeyKPHZMYALYMLQQT-UHFFFAOYSA-N
Compound Name1-[4-[11-(2,4-Dihydroxy-5-propan-2-ylbenzoyl)-3-morpholin-4-yl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
Canonical SMILESCC(C)c1cc(C(=O)N2CCc3c(sc4nc(-c5ccc(NC(=O)Nc6cccc(C(F)(F)F)c6)cc5)nc(N5CCOCC5)c34)C2)c(O)cc1O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL6.82
SourceChEMBL
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P07900 HSP90AA1 Homo sapiens Human PF13589 PF00183 6.9 IC50 ChEMBL
P08238 HSP90AB1 Homo sapiens Human PF13589 PF00183 6.9 IC50 ChEMBL
P42345 MTOR Homo sapiens Human PF02259 PF02260 PF08771 PF23593 PF11865 PF00454 6.7 IC50 ChEMBL