amlexanox   Click here for help

GtoPdb Ligand ID: 7113

Synonyms: AA-673 | Amlexanox® | Aphthasol® | CHX-3673
Approved drug PDB Ligand Immunopharmacology Ligand
amlexanox is an approved drug (FDA (1996))
Compound class: Synthetic organic
Comment: Amlexanox has anti-inflammatory [1], antiallergic and immunomodulatory actions [2]. Proposed to inhibit IKKδ and TBK1, albeit with low potency [5].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 106.42
Molecular weight 298.1
XLogP 4.41
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC(c1ccc2c(c1)c(=O)c1c(o2)nc(c(c1)C(=O)O)N)C
Isomeric SMILES CC(c1ccc2c(c1)c(=O)c1c(o2)nc(c(c1)C(=O)O)N)C
InChI InChI=1S/C16H14N2O4/c1-7(2)8-3-4-12-9(5-8)13(19)10-6-11(16(20)21)14(17)18-15(10)22-12/h3-7H,1-2H3,(H2,17,18)(H,20,21)
InChI Key SGRYPYWGNKJSDL-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1996))
Withdrawn drug? Yes
IUPAC Name Click here for help
2-amino-5-oxo-7-(propan-2-yl)-5H-chromeno[2,3-b]pyridine-3-carboxylic acid
International Nonproprietary Names Click here for help
INN number INN
5950 amlexanox
Synonyms Click here for help
AA-673 | Amlexanox® | Aphthasol® | CHX-3673
Database Links Click here for help
CAS Registry No. 68302-57-8
ChEMBL Ligand CHEMBL1096
DrugBank Ligand DB01025
DrugCentral Ligand 182
GtoPdb PubChem SID 178103690
PubChem CID 2161
RCSB PDB Ligand ANW
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Wikipedia Amlexanox

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Tocris
Amlexanox
Cat. No. 4857