Molecule Details
| InChIKey | IBSOPQYKTQLOPF-LBNVMWSVSA-N |
|---|---|
| Compound Name | 4-[2-amino-4-oxo-7-phenyl-3-[[(2S,5R)-5-phenyloxolan-2-yl]methyl]quinazolin-5-yl]benzoic acid |
| Canonical SMILES | Nc1nc2cc(-c3ccccc3)cc(-c3ccc(C(=O)O)cc3)c2c(=O)n1C[C@@H]1CC[C@H](c2ccccc2)O1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.34 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P46925 | PMII | Plasmodium falciparum (isolate HB3) | Pathogen | PF00026 | 6.5 | IC50 | ChEMBL;BindingDB |
| Q17SB2 | Plasmodium falciparum | Pathogen | PF00026 | 6.3 | IC50 | ChEMBL | |
| Q8IM16 | PMIV | Plasmodium falciparum (isolate 3D7) | Pathogen | PF00026 | 6.3 | IC50 | BindingDB |
| P39898 | PMI | Plasmodium falciparum (isolate HB3) | Pathogen | PF00026 | 6.2 | IC50 | ChEMBL;BindingDB |