Molecule Details
| InChIKey | OCOMTFATMRIOSP-UHFFFAOYSA-N |
|---|---|
| Compound Name | [1-[6-(4-chlorophenoxy)pyrimidin-4-yl]piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone |
| Canonical SMILES | O=C(C1CCN(c2cc(Oc3ccc(Cl)cc3)ncn2)CC1)N1CCc2ccccc2C1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.48 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08173 | CHRM4 | Homo sapiens | Human | PF00001 | 6.9 | IC50 | ChEMBL;BindingDB |
| P11229 | CHRM1 | Homo sapiens | Human | PF00001 | 6.5 | IC50 | ChEMBL;BindingDB |
| P08172 | CHRM2 | Homo sapiens | Human | PF00001 | 6.5 | IC50 | ChEMBL;BindingDB |
| P20309 | CHRM3 | Homo sapiens | Human | PF00001 | 6.4 | IC50 | ChEMBL;BindingDB |
| P08912 | CHRM5 | Homo sapiens | Human | PF00001 | 6.2 | IC50 | ChEMBL;BindingDB |