Molecule Details
| InChIKey | LCBAQTCTQXHTJG-ZETCQYMHSA-N |
|---|---|
| Compound Name | (7S)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one |
| Canonical SMILES | Nc1nccc(-c2cc3c([nH]2)[C@@H](CCF)CNC3=O)n1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 9 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.0 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB07149 |
|---|---|
| Drug Name | (7S)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 27380 CHEMBL524266 ChemSpider: 24720450 PDB: 553 PubChem:16757525 PubChem:99443620 ZINC: ZINC000039144346
Target Activities (9)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O00311 | CDC7 | Homo sapiens | Human | PF00069 | 8.7 | IC50 | ChEMBL;BindingDB |
| O60563 | CCNT1 | Homo sapiens | Human | PF00134 PF21797 | 7.5 | IC50 | BindingDB |
| P50750 | CDK9 | Homo sapiens | Human | PF00069 | 7.5 | IC50 | ChEMBL |
| Q9H2K8 | TAOK3 | Homo sapiens | Human | PF00069 | 6.9 | IC50 | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 6.9 | IC50 | ChEMBL |
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 6.8 | IC50 | ChEMBL |
| P49137 | MAPKAPK2 | Homo sapiens | Human | PF00069 | 6.3 | IC50 | ChEMBL |
| P53350 | PLK1 | Homo sapiens | Human | PF00069 PF00659 | 6.2 | IC50 | ChEMBL |
| P28482 | MAPK1 | Homo sapiens | Human | PF00069 | 6.1 | IC50 | ChEMBL |
DrugBank Target Actions (5)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| O00311 | CDC7 | Cell division cycle 7-related protein kinase | inhibitor | targets |
| P06493 | CDK1 | Cyclin-dependent kinase 1 | inhibitor | targets |
| P24941 | CDK2 | Cyclin-dependent kinase 2 | inhibitor | targets |
| P49841 | GSK3B | Glycogen synthase kinase-3 beta | inhibitor | targets |
| P50750 | CDK9 | Cyclin-dependent kinase 9 | inhibitor | targets |