TRANILAST

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Synonyms
Status
Molecule Category Free-form
UNII HVF50SMY6E
EPA CompTox DTXSID7023693

Structure

InChI Key NZHGWWWHIYHZNX-CSKARUKUSA-N
Smiles COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)O)cc1OC
InChI
InChI=1S/C18H17NO5/c1-23-15-9-7-12(11-16(15)24-2)8-10-17(20)19-14-6-4-3-5-13(14)18(21)22/h3-11H,1-2H3,(H,19,20)(H,21,22)/b10-8+

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H17NO5
Molecular Weight 327.34
AlogP 3.05
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 84.86
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 24.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 55.59-71.26
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 55.59-71.26
Mus musculus
- - - - 72.4
Rattus norvegicus
- - - - 0-70

Cross References

Resources Reference
ChEBI 77572
ChEMBL CHEMBL415324
DrugBank DB07615
DrugCentral 2714
FDA SRS HVF50SMY6E
Guide to Pharmacology 6326
PDB D27
PubChem 5282230
SureChEMBL SCHEMBL29875
ZINC ZINC000000000797
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