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