Molecule Details
| InChIKey | NMARPFMJVCXSAV-UHFFFAOYSA-N |
|---|---|
| Compound Name | Epiroprim |
| Canonical SMILES | CCOc1cc(Cc2cnc(N)nc2N)cc(OCC)c1-n1cccc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.69 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB20422 |
|---|---|
| Drug Name | Epiroprim |
| CAS Number | 73090-70-7 |
| Groups | experimental |
| ATC Codes | nan |
| Description | Epiroprim is a small molecule drug. Epiroprim has a monoisotopic molecular weight of 353.19 Da. |
Categories: Pyrimidines
Cross-references: BindingDB: 50029763 CHEMBL280378 ZINC: ZINC000000598590
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00374 | DHFR | Homo sapiens | Human | PF00186 | 7.0 | IC50 | ChEMBL;BindingDB |
| O30463 | folA | Mycobacterium avium | Pathogen | PF00186 | 8.4 | IC50 | ChEMBL |
| P16184 | Pneumocystis carinii | Pathogen | PF00186 | 7.8 | Ki | ChEMBL;BindingDB | |
| P00382 | dhfrI | Escherichia coli | Pathogen | PF00186 | 7.7 | Ki | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P0ABQ4 | folA | Dihydrofolate reductase | modulator | targets |