Molecule Details
| InChIKey | CXMKIWPGGSLHRE-UHFFFAOYSA-N |
|---|---|
| Compound Name | 6'-hydroxy-2'-((4-((4-methylpiperazin-1-yl)sulfonyl)phenyl)amino)-6',7'-dihydro-8'H-spiro[cyclohexane-1,9'-pyrazino[1',2':1,5]pyrrolo[2,3-d]pyrimidin]-8'-one |
| Canonical SMILES | CN1CCN(S(=O)(=O)c2ccc(Nc3ncc4cc5n(c4n3)C3(CCCCC3)C(=O)NC5O)cc2)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 15 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.57 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (15)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O60563 | CCNT1 | Homo sapiens | Human | PF00134 PF21797 | 8.7 | IC50 | ChEMBL;BindingDB |
| P20248 | CCNA2 | Homo sapiens | Human | PF02984 PF00134 PF16500 | 8.7 | IC50 | ChEMBL |
| P50750 | CDK9 | Homo sapiens | Human | PF00069 | 8.7 | IC50 | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 8.6 | IC50 | ChEMBL;BindingDB |
| P24864 | CCNE1 | Homo sapiens | Human | PF02984 PF00134 | 7.5 | IC50 | ChEMBL;BindingDB |
| Q00526 | CDK3 | Homo sapiens | Human | PF00069 | 7.5 | IC50 | ChEMBL |
| P30281 | CCND3 | Homo sapiens | Human | PF02984 PF00134 | 7.3 | IC50 | ChEMBL |
| Q00534 | CDK6 | Homo sapiens | Human | PF00069 | 7.3 | IC50 | ChEMBL;BindingDB |
| Q00535 | CDK5 | Homo sapiens | Human | PF00069 | 7.2 | IC50 | BindingDB |
| Q15078 | CDK5R1 | Homo sapiens | Human | PF03261 | 7.2 | IC50 | ChEMBL;BindingDB |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 7.1 | IC50 | ChEMBL;BindingDB |
| P11802 | CDK4 | Homo sapiens | Human | PF00069 | 7.0 | IC50 | ChEMBL;BindingDB |
| P24385 | CCND1 | Homo sapiens | Human | PF02984 PF00134 | 7.0 | IC50 | ChEMBL |
| P50613 | CDK7 | Homo sapiens | Human | PF00069 | 6.9 | IC50 | ChEMBL;BindingDB |
| P51946 | CCNH | Homo sapiens | Human | PF16899 PF00134 | 6.9 | IC50 | BindingDB |