Stem definition | Drug id | CAS RN |
---|---|---|
1401 | 90-33-5 |
None
None
None
None
None
None
None
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
None
None
Dissociation level | Dissociation constant | Type (acidic/basic) |
---|---|---|
pKa1 | 8.16 | acidic |
None
None
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