Molecule Details
| InChIKey | PJISFGNCDJBJKC-UHFFFAOYSA-N |
|---|---|
| Compound Name | 4-[2-(4-{[3-(3,4-Difluoro-phenyl)-propyl]-methyl-amino}-6-piperazin-1-yl-[1,3,5]triazin-2-ylamino)-ethyl]-phenol |
| Canonical SMILES | CN(CCCc1ccc(F)c(F)c1)c1nc(NCCc2ccc(O)cc2)nc(N2CCNCC2)n1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.45 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 7.7 | pIC50 | TTD_MultiTarget |
| Q92731 | ESR2 | Homo sapiens | Human | PF12497 PF00104 PF00105 | 7.7 | Ki | ChEMBL;BindingDB |
| P03372 | ESR1 | Homo sapiens | Human | PF12743 PF00104 PF02159 PF00105 | 6.7 | Ki | ChEMBL;BindingDB |
| Q96WX4 | erg6 | Pneumocystis carinii (strain B80) | Pathogen | PF08241 PF08498 | 7.7 | pIC50 | TTD_MultiTarget |