Molecule Details
| InChIKey | JLVRTMBMCWYGAL-UHFFFAOYSA-N |
|---|---|
| Compound Name | Parp1/2/tnks1/2-IN-1 |
| Canonical SMILES | COc1ccc(NC(=O)c2ccc(NC(=O)N3CCN(C(=O)c4cc(Cc5n[nH]c(=O)c6ccccc56)ccc4F)CC3)cc2)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.98 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P09874 | PARP1 | Homo sapiens | Human | PF00533 PF21728 PF00644 PF02877 PF05406 PF00645 PF08063 | 9.6 | IC50 | ChEMBL;BindingDB |
| Q9UGN5 | PARP2 | Homo sapiens | Human | PF00644 PF02877 PF05406 | 8.9 | IC50 | ChEMBL;BindingDB |
| Q9H2K2 | TNKS2 | Homo sapiens | Human | PF00023 PF12796 PF13637 PF00644 PF07647 | 8.4 | IC50 | ChEMBL;BindingDB |
| O95271 | TNKS | Homo sapiens | Human | PF00023 PF12796 PF00644 PF07647 | 7.9 | IC50 | ChEMBL;BindingDB |
| Q7Z3E1 | TIPARP | Homo sapiens | Human | PF00644 | 7.8 | IC50 | ChEMBL;BindingDB |
| Q53GL7 | PARP10 | Homo sapiens | Human | PF00644 PF23085 | 6.8 | IC50 | ChEMBL;BindingDB |
| Q9H0J9 | PARP12 | Homo sapiens | Human | PF00644 PF24356 PF02825 PF23466 PF25261 | 6.4 | IC50 | ChEMBL;BindingDB |