Molecule Details
| InChIKey | RJTDRNOTQRMDCY-KRWDZBQOSA-N |
|---|---|
| Compound Name | 2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[3,5-bis(2-cyanopropan-2-yl)phenyl]amino]pyrimidine-5-carboxamide |
| Canonical SMILES | CC(C)(C#N)c1cc(Nc2nc(N3CCC[C@H](N)C3)ncc2C(N)=O)cc(C(C)(C)C#N)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.55 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q14012 | CAMK1 | Homo sapiens | Human | PF00069 | 8.7 | IC50 | ChEMBL;BindingDB |
| Q6P2M8 | PNCK | Homo sapiens | Human | PF00069 | 8.0 | IC50 | ChEMBL;BindingDB |
| Q8IU85 | CAMK1D | Homo sapiens | Human | PF00069 | 7.5 | IC50 | ChEMBL;BindingDB |
| P33261 | CYP2C19 | Homo sapiens | Human | PF00067 | 6.0 | IC50 | ChEMBL;BindingDB |