General Information of the Compound
Compound ID
CP0322785
Compound Name
Aphthasol
    Show/Hide
Synonyms
2-Amino-7-isopropyl-5-oxo-5H-(1)benzopyrano(2,3-b)pyridine-3-carboxylic acid
2-amino-5-oxo-7-(propan-2-yl)-5H-chromeno[2,3-b]pyridine-3-carboxylic acid
2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid
2-amino-7-(1-methylethyl)-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid
2-amino-7-isopropyl-5-oxo-5H-(1)benzopyrano(2,3b)pyridine-3-carboxylic acid
AA 673
AA-673
ANW
Amlenanox
Amlexanox
Amlexanox (JAN/USAN/INN)
Amlexanox [USAN:INN:JAN]
Amlexanoxo
Amlexanoxo [Spanish]
Amlexanoxum
Amlexanoxum [Latin]
Amoxanox
Aphthasol
Aphthasol (TN)
Aptheal
Apthera
CHX 3673
CHX-3673
Elics
GlaxoSmithKline brand of amlexanox
OraDisc
OraDisc A
OraRinse
Solfa
Solfa (TN)
    Show/Hide
Structure
Formula
C16H14N2O4
Molecular Weight
298.298
Canonical SMILES
CC(C)c1ccc2oc3nc(N)c(cc3c(=O)c2c1)C(O)=O
    Show/Hide
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)
    Show/Hide
InChIKey
SGRYPYWGNKJSDL-UHFFFAOYSA-N
CAS
68302-57-8
Physicochemical Property
logP
2.745
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
106.42
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
22

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 2161
SID: 14800376
ChEMBL ID
CHEMBL1096
DrugBank ID
DB01025
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT05334, ATP-binding cassette sub-family C member 4
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 2200 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT03308, G-protein coupled receptor 35
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
EC50 = 4000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Amlexanox )
Drug Name Amlexanox
Company Access Pharmaceuticals
Indication
Respiratory tract inflammation
Approved
Target(s)
Heat shock protein 90 alpha (HSP90A)
 Target Info 
Inhibitor