Molecule Details
| InChIKey | WKXCQZQWHUTWSY-UHFFFAOYSA-M |
|---|---|
| Compound Name | 1-[[4-Fluoro-3-(3-oxo-4-pentan-3-ylpiperazine-1-carbonyl)phenyl]methyl]-2-oxoquinazolin-4-olate |
| Canonical SMILES | CCC(CC)N1CCN(C(=O)c2cc(Cn3c(=O)[n-]c(=O)c4ccccc43)ccc2F)CC1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.59 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q7Z3E1 | TIPARP | Homo sapiens | Human | PF00644 | 9.7 | IC50 | ChEMBL |
| Q9UGN5 | PARP2 | Homo sapiens | Human | PF00644 PF02877 PF05406 | 9.1 | IC50 | ChEMBL |
| P09874 | PARP1 | Homo sapiens | Human | PF00533 PF21728 PF00644 PF02877 PF05406 PF00645 PF08063 | 9.0 | IC50 | ChEMBL |
| Q8N3A8 | PARP8 | Homo sapiens | Human | PF00644 | 7.9 | IC50 | ChEMBL |
| Q9Y6F1 | PARP3 | Homo sapiens | Human | PF00644 PF02877 PF05406 | 7.3 | IC50 | ChEMBL |