Molecule Details
| InChIKey | UQFRSHRWRKYNDE-UHFFFAOYSA-N |
|---|---|
| Compound Name | Cyclohexyl-(4-(5-(3,4-Dichlorophenyl)-2-Piperidin-4-Yl-3-Propyl-3h-Imidazol-4-Yl)-Pyrimidin-2-Yl)Amine |
| Canonical SMILES | CCCn1c(C2CCNCC2)nc(-c2ccc(Cl)c(Cl)c2)c1-c1ccnc(NC2CCCCC2)n1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 17 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.02 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB02388 |
|---|---|
| Drug Name | Cyclohexyl-{4-[5-(3,4-Dichlorophenyl)-2-Piperidin-4-Yl-3-Propyl-3h-Imidazol-4-Yl]-Pyrimidin-2-Yl}Amine |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 16016 CHEMBL437747 ChemSpider: 394842 PDB: 880 PubChem:447873 PubChem:46504625 ZINC: ZINC000012501995
Target Activities (17)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P53779 | MAPK10 | Homo sapiens | Human | PF00069 | 8.8 | IC50 | ChEMBL;BindingDB |
| P45983 | MAPK8 | Homo sapiens | Human | PF00069 | 8.7 | IC50 | ChEMBL;BindingDB |
| Q16539 | MAPK14 | Homo sapiens | Human | PF00069 | 8.4 | IC50 | ChEMBL;BindingDB |
| Q9BZL6 | PRKD2 | Homo sapiens | Human | PF00130 PF00169 PF00069 PF25525 | 8.1 | Ki | ChEMBL |
| P45984 | MAPK9 | Homo sapiens | Human | PF00069 | 7.7 | Ki | ChEMBL |
| P28482 | MAPK1 | Homo sapiens | Human | PF00069 | 7.1 | Ki | ChEMBL |
| P48730 | CSNK1D | Homo sapiens | Human | PF00069 | 6.9 | Ki | ChEMBL |
| P49840 | GSK3A | Homo sapiens | Human | PF00069 | 6.9 | Ki | ChEMBL |
| Q9P1W9 | PIM2 | Homo sapiens | Human | PF00069 | 6.9 | Ki | ChEMBL |
| Q00535 | CDK5 | Homo sapiens | Human | PF00069 | 6.8 | Ki | ChEMBL |
| O43293 | DAPK3 | Homo sapiens | Human | PF00069 | 6.5 | Ki | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 6.2 | Ki | ChEMBL |
| P53667 | LIMK1 | Homo sapiens | Human | PF00412 PF00595 PF07714 | 6.2 | Ki | ChEMBL |
| P17612 | PRKACA | Homo sapiens | Human | PF00069 | 6.1 | Ki | ChEMBL |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 6.0 | Ki | ChEMBL |
| P53778 | MAPK12 | Homo sapiens | Human | PF00069 | 6.0 | Ki | ChEMBL |
| Q05655 | PRKCD | Homo sapiens | Human | PF00130 PF21494 PF00069 PF00433 | 6.0 | Ki | ChEMBL |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P53779 | MAPK10 | Mitogen-activated protein kinase 10 | binder | targets |