Molecule Details
| InChIKey | BOKCRBOZYPDNIC-UHFFFAOYSA-N |
|---|---|
| Compound Name | Parp1-IN-21 |
| Canonical SMILES | CCc1cc2ncc(CN3CC=C(c4ccc(C(=O)NC)nc4)CC3)cc2[nH]c1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.84 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P09874 | PARP1 | Homo sapiens | Human | PF00533 PF21728 PF00644 PF02877 PF05406 PF00645 PF08063 | 8.6 | IC50 | ChEMBL;BindingDB |
| Q9UGN5 | PARP2 | Homo sapiens | Human | PF00644 PF02877 PF05406 | 7.5 | IC50 | BindingDB |
| Q7Z3E1 | TIPARP | Homo sapiens | Human | PF00644 | 7.4 | IC50 | BindingDB |