Molecule Details
| InChIKey | KLGQSVMIPOVQAX-UHFFFAOYSA-N |
|---|---|
| Compound Name | Xav-939 |
| Canonical SMILES | Oc1nc(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.16 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9H2K2 | TNKS2 | Homo sapiens | Human | PF00023 PF12796 PF13637 PF00644 PF07647 | 8.3 | IC50 | ChEMBL;BindingDB |
| O95271 | TNKS | Homo sapiens | Human | PF00023 PF12796 PF00644 PF07647 | 8.0 | IC50 | ChEMBL;BindingDB |
| P56704 | WNT3A | Homo sapiens | Human | PF00110 | 7.1 | IC50 | ChEMBL;BindingDB |
| Q9UGN5 | PARP2 | Homo sapiens | Human | PF00644 PF02877 PF05406 | 7.0 | IC50 | ChEMBL;BindingDB |
| P09874 | PARP1 | Homo sapiens | Human | PF00533 PF21728 PF00644 PF02877 PF05406 PF00645 PF08063 | 6.9 | IC50 | ChEMBL;BindingDB |
| P35222 | CTNNB1 | Homo sapiens | Human | PF00514 | 6.8 | IC50 | BindingDB |
| Q9Y6F1 | PARP3 | Homo sapiens | Human | PF00644 PF02877 PF05406 | 6.1 | IC50 | ChEMBL;BindingDB |