tranilast   Click here for help

GtoPdb Ligand ID: 6326

Synonyms: MK-341 | SB-252218
Approved drug PDB Ligand Immunopharmacology Ligand
tranilast is an approved drug
Compound class: Synthetic organic
Comment: Tranilast is an anti-allergic drug, with a complex mechanism of action [1,4], and potential antiproliferative activity [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 84.86
Molecular weight 327.11
XLogP 2.87
No. Lipinski's rules broken 0
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Canonical SMILES COc1cc(C=CC(=O)Nc2ccccc2C(=O)O)ccc1OC
Isomeric SMILES COc1cc(/C=C/C(=O)Nc2ccccc2C(=O)O)ccc1OC
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+
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name Click here for help
2-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]benzoic acid
International Nonproprietary Names Click here for help
INN number INN
5070 tranilast
Synonyms Click here for help
MK-341 | SB-252218
Database Links Click here for help
CAS Registry No. 53902-12-8 (source: SciFinder)
ChEMBL Ligand CHEMBL415324
DrugCentral Ligand 2714
GtoPdb PubChem SID 178102944
PubChem CID 5282230
RCSB PDB Ligand D27
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UniChem Compound Search for chemical match using the InChIKey NZHGWWWHIYHZNX-CSKARUKUSA-N
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Tranilast (links to external site)
Cat. No. 1098