| Stem definition | Drug id | CAS RN |
|---|---|---|
| antimicrobials, dihydrofolate reductase (DHFR) inhibitors, trimethoprim analogues | 398 | 56518-41-3 |
| Molecule | Description |
|---|---|
|
Synonyms:
|
inhibits dihydrofolate reductase
|
| Dose | Unit | Route |
|---|---|---|
| 0.20 | g | O |
| Property | Value | Reference |
|---|---|---|
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 9.27 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Jan. 1, 1993 | YEAR INTRODUCED |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | J01EA02 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIBACTERIALS FOR SYSTEMIC USE SULFONAMIDES AND TRIMETHOPRIM Trimethoprim and derivatives |
| MeSH PA | D000890 | Anti-Infective Agents |
| MeSH PA | D004791 | Enzyme Inhibitors |
| MeSH PA | D005493 | Folic Acid Antagonists |
| CHEBI has role | CHEBI:35441 | antiinfective agents |
| CHEBI has role | CHEBI:36047 | antibacterial drugs |
| CHEBI has role | CHEBI:50683 | dihydrofolic acid reductase inhibitors |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 7.01 | Basic |
| pKa2 | 0.6 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Bifunctional dihydrofolate reductase-thymidylate synthase | Enzyme | IC50 | 7.77 | CHEMBL | |||||
| Dihydrofolate reductase | Enzyme | IC50 | 7.51 | CHEMBL | |||||
| Dihydrofolate reductase | Enzyme | IC50 | 7.82 | CHEMBL | |||||
| Dihydrofolate reductase | Enzyme | Ki | 8.18 | WOMBAT-PK | |||||
| Dihydrofolate reductase | Enzyme | Ki | 7.95 | CHEMBL | |||||
| Dihydrofolate reductase | Enzyme | Ki | 4.54 | CHEMBL | |||||
| Dihydrofolate reductase | Enzyme | IC50 | 8.53 | CHEMBL | |||||
| Dihydrofolate reductase | Enzyme | Ki | 8.18 | CHEMBL |
| ID | Source |
|---|---|
| D07238 | KEGG_DRUG |
| 19727 | RXNORM |
| C0054084 | UMLSCUI |
| CHEBI:131726 | CHEBI |
| CHEMBL31891 | ChEMBL_ID |
| DB13795 | DRUGBANK_ID |
| C037079 | MESH_SUPPLEMENTAL_RECORD_UI |
| 68760 | PUBCHEM_CID |
| 12325 | IUPHAR_LIGAND_ID |
| 4910 | INN_ID |
| V1YC7T6LLI | UNII |
| 006013 | NDDF |
None