Molecule Details
| InChIKey | WPOCDUBRCAGMKZ-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3-[2-Amino-7-octyl-4-oxo-3-(oxolan-2-ylmethyl)quinazolin-5-yl]propanoic acid |
| Canonical SMILES | CCCCCCCCc1cc(CCC(=O)O)c2c(=O)n(CC3CCCO3)c(N)nc2c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.13 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P07339 | CTSD | Homo sapiens | Human | PF07966 PF00026 | 6.4 | IC50 | ChEMBL;BindingDB |
| P39898 | PMI | Plasmodium falciparum (isolate HB3) | Pathogen | PF00026 | 7.7 | IC50 | ChEMBL;BindingDB |
| P46925 | PMII | Plasmodium falciparum (isolate HB3) | Pathogen | PF00026 | 7.7 | IC50 | ChEMBL;BindingDB |
| Q17SB2 | Plasmodium falciparum | Pathogen | PF00026 | 7.0 | IC50 | ChEMBL | |
| Q8IM16 | PMIV | Plasmodium falciparum (isolate 3D7) | Pathogen | PF00026 | 7.0 | IC50 | BindingDB |