Molecule Details
| InChIKey | BKCOGSHTNWTZNI-UHFFFAOYSA-N |
|---|---|
| Compound Name | 2'-((4-(piperazine-1-carbonyl)phenyl)amino)-7',8'-dihydro-6'H-spiro[cyclohexane-1,9'-pyrazino[1',2':1,5]pyrrolo[2,3-d]pyrimidin]-6'-one |
| Canonical SMILES | O=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(C(=O)N4CCNCC4)cc3)nc12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 15 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.8 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (15)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P11802 | CDK4 | Homo sapiens | Human | PF00069 | 9.5 | IC50 | ChEMBL;BindingDB |
| P24385 | CCND1 | Homo sapiens | Human | PF02984 PF00134 | 9.5 | IC50 | ChEMBL |
| P30281 | CCND3 | Homo sapiens | Human | PF02984 PF00134 | 9.4 | IC50 | ChEMBL |
| Q00534 | CDK6 | Homo sapiens | Human | PF00069 | 9.4 | IC50 | ChEMBL;BindingDB |
| P20248 | CCNA2 | Homo sapiens | Human | PF02984 PF00134 PF16500 | 9.2 | IC50 | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 9.1 | IC50 | ChEMBL;BindingDB |
| O60563 | CCNT1 | Homo sapiens | Human | PF00134 PF21797 | 9.0 | IC50 | ChEMBL;BindingDB |
| P50750 | CDK9 | Homo sapiens | Human | PF00069 | 9.0 | IC50 | ChEMBL |
| Q00535 | CDK5 | Homo sapiens | Human | PF00069 | 9.0 | IC50 | BindingDB |
| Q15078 | CDK5R1 | Homo sapiens | Human | PF03261 | 9.0 | IC50 | ChEMBL;BindingDB |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 8.3 | IC50 | ChEMBL;BindingDB |
| P24864 | CCNE1 | Homo sapiens | Human | PF02984 PF00134 | 8.2 | IC50 | ChEMBL;BindingDB |
| Q00526 | CDK3 | Homo sapiens | Human | PF00069 | 8.2 | IC50 | ChEMBL |
| P50613 | CDK7 | Homo sapiens | Human | PF00069 | 7.6 | IC50 | ChEMBL;BindingDB |
| P51946 | CCNH | Homo sapiens | Human | PF16899 PF00134 | 7.6 | IC50 | BindingDB |