Molecule Details
InChIKeyTUVJIFINMSRIRU-UHFFFAOYSA-N
Compound Name1-(4-{4-{[3-(4-Chloro-phenyl)-propyl]-methyl-amino}-6-[2-(4-hydroxy-phenyl)-ethylamino]-[1,3,5]triazin-2-yl}-piperazin-1-yl)-pentan-3-one
Canonical SMILESCCC(=O)CCN1CCN(c2nc(NCCc3ccc(O)cc3)nc(N(C)CCCc3ccc(Cl)cc3)n2)CC1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)4
Pfam Stratification Cross-Family
Avg pChEMBL7.2
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (4)
Target Gene Organism Category Pfam pChEMBL Type Source
P18505 GABRB1 Homo sapiens Human PF02931 PF02932 7.4 pIC50 TTD_MultiTarget
Q92731 ESR2 Homo sapiens Human PF12497 PF00104 PF00105 7.4 Ki ChEMBL;BindingDB
P03372 ESR1 Homo sapiens Human PF12743 PF00104 PF02159 PF00105 6.6 Ki ChEMBL;BindingDB
Q96WX4 erg6 Pneumocystis carinii (strain B80) Pathogen PF08241 PF08498 7.4 pIC50 TTD_MultiTarget