Molecule Details
| InChIKey | MPBQEARIFVQZIE-UHFFFAOYSA-N |
|---|---|
| Compound Name | 4-ethyl-7-methyl-N-(5-piperazin-1-yl-2-pyridinyl)-5-propan-2-yl-3,4,10,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),2,5,8,10-pentaen-11-amine |
| Canonical SMILES | CCn1nc2c(c1C(C)C)C(C)c1cnc(Nc3ccc(N4CCNCC4)cn3)nc1-2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.14 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P11802 | CDK4 | Homo sapiens | Human | PF00069 | 8.3 | IC50 | ChEMBL;BindingDB |
| P24385 | CCND1 | Homo sapiens | Human | PF02984 PF00134 | 7.8 | IC50 | ChEMBL;BindingDB |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 6.3 | IC50 | BindingDB |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 6.2 | IC50 | BindingDB |