Molecule Details
| InChIKey | BWTOWBOMDHKCDB-UHFFFAOYSA-N |
|---|---|
| Compound Name | Pol|E/PARP-IN-1 |
| Canonical SMILES | COc1ccc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(OCC2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)CC2)s1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.37 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9UGN5 | PARP2 | Homo sapiens | Human | PF00644 PF02877 PF05406 | 8.6 | IC50 | ChEMBL |
| P09874 | PARP1 | Homo sapiens | Human | PF00533 PF21728 PF00644 PF02877 PF05406 PF00645 PF08063 | 8.3 | IC50 | ChEMBL |
| Q9Y6F1 | PARP3 | Homo sapiens | Human | PF00644 PF02877 PF05406 | 7.3 | IC50 | ChEMBL |
| O75417 | POLQ | Homo sapiens | Human | PF00270 PF00476 PF25453 PF00271 PF20470 PF21099 | 7.2 | IC50 | ChEMBL |
| Q9H2K2 | TNKS2 | Homo sapiens | Human | PF00023 PF12796 PF13637 PF00644 PF07647 | 6.8 | IC50 | ChEMBL |
| Q7Z3E1 | TIPARP | Homo sapiens | Human | PF00644 | 6.7 | IC50 | ChEMBL |
| O95271 | TNKS | Homo sapiens | Human | PF00023 PF12796 PF00644 PF07647 | 6.7 | IC50 | ChEMBL |