Molecule Details
| InChIKey | UOJFGEAPSYQDIP-UHFFFAOYSA-N |
|---|---|
| Compound Name | 5-(4-Methylphenyl)sulfanylquinazoline-2,4-diamine |
| Canonical SMILES | Cc1ccc(Sc2cccc3nc(N)nc(N)c23)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.71 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB04306 |
|---|---|
| Drug Name | 5-[(4-Methylphenyl)Sulfanyl]-2,4-Quinazolinediamine |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 18046 CHEMBL83547 ChemSpider: 393654 PDB: TQ4 PubChem:446245 PubChem:46504871 ZINC: ZINC000000172633
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00374 | DHFR | Homo sapiens | Human | PF00186 | 6.0 | IC50 | ChEMBL;BindingDB |
| P22906 | DFR1 | Candida albicans | Pathogen | PF00186 | 7.6 | IC50 | ChEMBL;BindingDB |
| P0ABQ4 | folA | Escherichia coli (strain K12) | Pathogen | PF00186 | 6.7 | IC50 | ChEMBL;BindingDB |
| B0BL08 | dfrA17 | Escherichia coli | Pathogen | PF00186 | 6.5 | IC50 | BindingDB |