Molecule Details
| InChIKey | VJXSSYDSOJBUAV-UHFFFAOYSA-N |
|---|---|
| Compound Name | Piritrexim |
| Canonical SMILES | COc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.35 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB03695 |
|---|---|
| Drug Name | Piritrexim |
| CAS Number | 72732-56-0 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Piritrexim has been used in trials studying the treatment of Bladder Cancer, Urethral Cancer, and Transitional Cell Cancer of the Renal Pelvis and Ureter. |
Categories: Antineoplastic Agents Enzyme Inhibitors Folic Acid Antagonists
Cross-references: BindingDB: 18224 CHEMBL7492 ChemSpider: 49108 PDB: MXA PubChem:54369 PubChem:46506046 ZINC: ZINC000000000640
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00374 | DHFR | Homo sapiens | Human | PF00186 | 8.5 | IC50 | ChEMBL;BindingDB |
| O30463 | folA | Mycobacterium avium | Pathogen | PF00186 | 9.2 | IC50 | ChEMBL;BindingDB |
| P22906 | DFR1 | Candida albicans | Pathogen | PF00186 | 8.7 | Ki | ChEMBL;BindingDB |
| Q07422 | Toxoplasma gondii | Pathogen | PF00186 PF00303 | 7.8 | IC50 | ChEMBL;BindingDB | |
| B0BL08 | dfrA17 | Escherichia coli | Pathogen | PF00186 | 7.5 | IC50 | BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P00374 | DHFR | Dihydrofolate reductase | modulator | targets |