Molecule Details
| InChIKey | LNMIYHCOSIHDEA-UHFFFAOYSA-N |
|---|---|
| Compound Name | 4-[4-[(3-Benzyl-7-methyl-4-oxoquinazolin-2-yl)sulfanylmethyl]triazol-1-yl]benzoic acid |
| Canonical SMILES | Cc1ccc2c(=O)n(Cc3ccccc3)c(SCc3cn(-c4ccc(C(=O)O)cc4)nn3)nc2c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.3 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q02880 | TOP2B | Homo sapiens | Human | PF00204 PF00521 PF08070 PF02518 PF01751 PF16898 | 7.6 | IC50 | ChEMBL;BindingDB |
| P00533 | EGFR | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 7.4 | IC50 | ChEMBL;BindingDB |
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 6.9 | IC50 | ChEMBL;BindingDB |