Molecule Details
| InChIKey | RMIJZTKTCJJVSA-UHFFFAOYSA-N |
|---|---|
| Compound Name | 4-[(8-methyl-4-oxidanylidene-7-prop-1-ynyl-3~{H}-quinazolin-2-yl)methylsulfanyl]benzoic acid |
| Canonical SMILES | CC#Cc1ccc2c(=O)[nH]c(CSc3ccc(C(=O)O)cc3)nc2c1C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.54 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9NR21 | PARP11 | Homo sapiens | Human | PF00644 PF02825 | 7.0 | IC50 | ChEMBL;BindingDB |
| Q53GL7 | PARP10 | Homo sapiens | Human | PF00644 PF23085 | 6.8 | IC50 | ChEMBL;BindingDB |
| Q460N3 | PARP15 | Homo sapiens | Human | PF01661 PF00644 | 6.3 | IC50 | ChEMBL;BindingDB |
| Q460N5 | PARP14 | Homo sapiens | Human | PF23084 PF23248 PF23249 PF23251 PF23252 PF23253 PF23254 PF01661 PF00644 PF23222 PF23245 PF23085 PF22005 | 6.0 | IC50 | ChEMBL;BindingDB |