Molecule Details
| InChIKey | STSCRAGBCYODMY-UHFFFAOYSA-N |
|---|---|
| Compound Name | 4-(3-(3-(5-Bromofuran-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-4-fluorobenzyl)phthalazin-1(2H)-one |
| Canonical SMILES | O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2c(nnc2-c2ccc(Br)o2)C1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.28 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (8)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9UKK3 | PARP4 | Homo sapiens | Human | PF00533 PF00644 PF26156 PF08487 PF00092 PF26166 | 9.0 | IC50 | ChEMBL |
| Q9Y6F1 | PARP3 | Homo sapiens | Human | PF00644 PF02877 PF05406 | 9.0 | IC50 | ChEMBL |
| O95271 | TNKS | Homo sapiens | Human | PF00023 PF12796 PF00644 PF07647 | 8.4 | IC50 | ChEMBL |
| Q7Z3E1 | TIPARP | Homo sapiens | Human | PF00644 | 8.1 | IC50 | ChEMBL |
| Q2NL67 | PARP6 | Homo sapiens | Human | PF00644 | 8.0 | IC50 | ChEMBL |
| Q53GL7 | PARP10 | Homo sapiens | Human | PF00644 PF23085 | 8.0 | IC50 | ChEMBL |
| Q9H2K2 | TNKS2 | Homo sapiens | Human | PF00023 PF12796 PF13637 PF00644 PF07647 | 7.9 | IC50 | ChEMBL |
| Q9H0J9 | PARP12 | Homo sapiens | Human | PF00644 PF24356 PF02825 PF23466 PF25261 | 7.8 | IC50 | ChEMBL |