| Stem definition | Drug id | CAS RN |
|---|---|---|
| 754 | 516-21-2 |
None
None
None
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | P01BB02 | ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS ANTIPROTOZOALS ANTIMALARIALS Biguanides |
| MeSH PA | D000890 | Anti-Infective Agents |
| MeSH PA | D000962 | Antimalarials |
| MeSH PA | D000977 | Antiparasitic Agents |
| MeSH PA | D000981 | Antiprotozoal Agents |
| MeSH PA | D004791 | Enzyme Inhibitors |
| MeSH PA | D005493 | Folic Acid Antagonists |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 11.2 | Basic |
| pKa2 | 4.66 | Basic |
| pKa3 | 3.37 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | Enzyme | Ki | 7.25 | CHEMBL | |||||
| Bifunctional dihydrofolate reductase-thymidylate synthase | Enzyme | INHIBITOR | Ki | 8.96 | CHEMBL | CHEMBL | |||
| Dihydrofolate reductase | Enzyme | Ki | 7.63 | CHEMBL | |||||
| Dihydrofolate reductase | Enzyme | IC50 | 6.96 | CHEMBL | |||||
| Dihydrofolate reductase | Enzyme | Ki | 5.99 | CHEMBL | |||||
| Dihydrofolate reductase | Enzyme | Ki | 4.76 | CHEMBL | |||||
| Dihydrofolate reductase | Enzyme | Ki | 6.95 | CHEMBL | |||||
| Dihydrofolate reductase | Enzyme | Ki | 5.99 | CHEMBL |
| ID | Source |
|---|---|
| 26RM326WVN | UNII |
| D02387 | KEGG_DRUG |
| 609-78-9 | SECONDARY_CAS_RN |
| C0056751 | UMLSCUI |
| CHEBI:4003 | CHEBI |
| 1CY | PDB_CHEM_ID |
| CHEMBL747 | ChEMBL_ID |
| 9049 | PUBCHEM_CID |
| DB14763 | DRUGBANK_ID |
| CHEMBL3989825 | ChEMBL_ID |
| CHEMBL588912 | ChEMBL_ID |
| C026009 | MESH_SUPPLEMENTAL_RECORD_UI |
| C073266 | MESH_SUPPLEMENTAL_RECORD_UI |
| 10027 | IUPHAR_LIGAND_ID |
| 002945 | NDDF |
| 002946 | NDDF |
| 28223003 | SNOMEDCT_US |
| 1527 | INN_ID |
None