| Stem definition | Drug id | CAS RN |
|---|---|---|
| 1401 | 90-33-5 |
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None
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| Source | Code | Description |
|---|---|---|
| ATC | A05AX02 | ALIMENTARY TRACT AND METABOLISM BILE AND LIVER THERAPY BILE THERAPY Other drugs for bile therapy |
| MeSH PA | D007202 | Indicators and Reagents |
| CHEBI has role | CHEBI:35610 | antineoplastic agents |
| CHEBI has role | CHEBI:131561 | HA synthesis inhibitor |
None
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 8.16 | acidic |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | Enzyme | IC50 | 4.09 | CHEMBL | |||||
| Aldose reductase | Enzyme | IC50 | 4.61 | CHEMBL | |||||
| Carbonic anhydrase 9 | Enzyme | Ki | 6.25 | CHEMBL | |||||
| Carbonic anhydrase 12 | Enzyme | Ki | 5.09 | CHEMBL | |||||
| Induced myeloid leukemia cell differentiation protein Mcl-1 | Cytosolic other | Ki | 4.66 | CHEMBL | |||||
| Testosterone 17-beta-dehydrogenase 3 | Enzyme | IC50 | 6 | CHEMBL | |||||
| Aldose reductase | Enzyme | IC50 | 4.21 | CHEMBL |
| ID | Source |
|---|---|
| N0000167012 | NUI |
| D00170 | KEGG_DRUG |
| C0020411 | UMLSCUI |
| CHEBI:17224 | CHEBI |
| 4MU | PDB_CHEM_ID |
| CHEMBL12208 | ChEMBL_ID |
| DB07118 | DRUGBANK_ID |
| D006923 | MESH_DESCRIPTOR_UI |
| 5280567 | PUBCHEM_CID |
| 1891 | INN_ID |
| 3T5NG4Q468 | UNII |
| 5556 | RXNORM |
| 005482 | NDDF |
None