Molecule Details
InChIKeyPVIFHDOPIPOZGE-UHFFFAOYSA-N
Compound Name4-(2-{4-{[3-(4-Chloro-phenyl)-propyl]-methyl-amino}-6-[4-(2-methyl-thiazol-4-ylmethyl)-piperazin-1-yl]-[1,3,5]triazin-2-ylamino}-ethyl)-phenol
Canonical SMILESCc1nc(CN2CCN(c3nc(NCCc4ccc(O)cc4)nc(N(C)CCCc4ccc(Cl)cc4)n3)CC2)cs1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)4
Pfam Stratification Cross-Family
Avg pChEMBL7.76
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 8.3 pIC50 TTD_MultiTarget
Q92731 ESR2 Homo sapiens Human PF12497 PF00104 PF00105 8.0 IC50 ChEMBL;BindingDB
P03372 ESR1 Homo sapiens Human PF12743 PF00104 PF02159 PF00105 6.5 IC50 ChEMBL;BindingDB
Q96WX4 erg6 Pneumocystis carinii (strain B80) Pathogen PF08241 PF08498 8.3 pIC50 TTD_MultiTarget