Molecule Details
| InChIKey | BMPSOKZAIFFMLK-LBPRGKRZSA-N |
|---|---|
| Compound Name | PARP7 Inhibitor I-1 |
| Canonical SMILES | C[C@@H](CN1CC(C(=O)N2CCN(c3ncc(C(F)(F)F)cn3)CC2)C1)Nc1cn[nH]c(=O)c1C(F)(F)F |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.77 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q7Z3E1 | TIPARP | Homo sapiens | Human | PF00644 | 8.1 | IC50 | ChEMBL |
| O95271 | TNKS | Homo sapiens | Human | PF00023 PF12796 PF00644 PF07647 | 6.8 | IC50 | ChEMBL |
| Q9H2K2 | TNKS2 | Homo sapiens | Human | PF00023 PF12796 PF13637 PF00644 PF07647 | 6.6 | IC50 | ChEMBL |
| Q53GL7 | PARP10 | Homo sapiens | Human | PF00644 PF23085 | 6.5 | IC50 | ChEMBL |
| Q9H0J9 | PARP12 | Homo sapiens | Human | PF00644 PF24356 PF02825 PF23466 PF25261 | 6.3 | IC50 | ChEMBL |
| Q9UGN5 | PARP2 | Homo sapiens | Human | PF00644 PF02877 PF05406 | 6.3 | IC50 | ChEMBL |