Molecule Details
| InChIKey | HMBFXHIQISYDKM-RXVVDRJESA-N |
|---|---|
| Compound Name | 4-[(3S)-4-[(S)-4-(Trifluoromethyl)-alpha-methylbenzyl]-3-methyl-piperazino]-4-methylpiperidino 4,6-dimethyl-5-pyrimidinyl ketone |
| Canonical SMILES | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.81 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P51681 | CCR5 | Homo sapiens | Human | PF00001 | 8.5 | Ki | ChEMBL;BindingDB |
| P08172 | CHRM2 | Homo sapiens | Human | PF00001 | 6.3 | Ki | ChEMBL;BindingDB |
| P11229 | CHRM1 | Homo sapiens | Human | PF00001 | 6.2 | Ki | ChEMBL;BindingDB |
| P20309 | CHRM3 | Homo sapiens | Human | PF00001 | 6.1 | Ki | ChEMBL;BindingDB |