Molecule Details
InChIKeyQIVUVRPLLRMTDC-VWLOTQADSA-N
Compound Name1-[4-[(2S)-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperazin-1-yl]-2-pyridin-4-ylethanone
Canonical SMILESO=C(Cc1ccncc1)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)4
Pfam Stratification Cross-Family
Avg pChEMBL7.68
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (4)
Target Gene Organism Category Pfam pChEMBL Type Source
P01112 HRAS Homo sapiens Human PF00071 8.7 IC50 ChEMBL
P01116 KRAS Homo sapiens Human PF00071 8.3 IC50 ChEMBL
P49354 FNTA Homo sapiens Human PF01239 6.8 pIC50 TTD_MultiTarget
P49356 FNTB Homo sapiens Human PF00432 6.8 IC50 ChEMBL;BindingDB