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Compound Detail

CHEMBL1096

AMLEXANOX
💊 Approved Drug
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💊 Approved Drug
CC(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1096
Name AMLEXANOX
Phase Approved
Structure Type MOL
InChI Key SGRYPYWGNKJSDL-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

AA-673 Amlexanox Amlexanoxo Amoxanox Aphthasol Aphtheal CHX 3673 CHX-3673 Elics Solfa
6
Targets
10
Activities
3
Assay Types
0
PK Parameters
20
Publications
10
Known Names
2
Indications
1
Mechanisms

Molecular Properties

298.3
MW (Da)
2.75
ALogP
5
HBA
2
HBD
106.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1996
Availability Discontinued
Chirality Achiral

Routes of Administration

Topical

Flags

Natural Product
USAN Stem -xanox
USAN Year 1995

Extended Properties

Molecular Formula C16H14N2O4
MW 298.30
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.11

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Phosphodiesterase 4 inhibitor INHIBITOR Phosphodiesterase 4 ✓ ✓

Indications

Lung Diseases, Obstructive Stomatitis

ATC Classification

A01AD07
amlexanox
Level 1: ALIMENTARY TRACT AND METABOLISM
Level 2: STOMATOLOGICAL PREPARATIONS
R03DX01
amlexanox
Level 1: RESPIRATORY SYSTEM
Level 2: DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES

Activity Summary

IC50 8 meas. best 6.07
EC50 1 meas. best 5.4
Kd 1 meas. best 4.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase TBK1
CHEMBL5408
 IC50 6.07 6.05 850.0 3
ATP-binding cassette sub-family C member 4
CHEMBL1743128
 IC50 5.66 5.66 2200.0 1
G-protein coupled receptor 35
CHEMBL1293267
 EC50 5.4 5.4 4000.0 1
Inhibitor of nuclear factor kappa-B kinase subunit epsilon
CHEMBL3529
 IC50 5.29 5.29 5100.0 2
G protein-coupled receptor kinase 5
CHEMBL3721302
 IC50 5.05 5.05 8860.0 1
Transthyretin
CHEMBL3194
 Kd 4.7 4.7 20000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serine/threonine-protein kinase TBK1 IC50 = 850.0 nM 6.07 Inhibition of human TBK1 (1 to 657 residues) expressed in Baculovirus infected S... 30270002
Serine/threonine-protein kinase TBK1 IC50 = 851.14 nM 6.07 Inhibition of human TBK1 (1 to 657 residues) expressed in Baculovirus infected S... 30270002
Serine/threonine-protein kinase TBK1 IC50 = 980.0 nM 6.01 Kinase Assays: Kinase assays are commonly used for determining the ability of a ... -
ATP-binding cassette sub-family C member 4 IC50 = 2200.0 nM 5.66 Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as... 23956101
G-protein coupled receptor 35 EC50 = 4000.0 nM 5.4 Agonist activity at human GPR35 expressed in CHO-K1 cells after 90 mins by beta-... 27976894
Inhibitor of nuclear factor kappa-B kinase subunit epsilon IC50 = 5100.0 nM 5.29 Inhibition of human IKKepsilon (1 to 655 residues) expressed in Baculovirus infe... 30270002
Inhibitor of nuclear factor kappa-B kinase subunit epsilon IC50 = 5128.61 nM 5.29 Inhibition of human IKKepsilon (1 to 655 residues) expressed in Baculovirus infe... 30270002
G protein-coupled receptor kinase 5 IC50 = 8860.0 nM 5.05 Inhibition of mouse GRK5 36055000
Transthyretin Kd = 20000.0 nM 4.7 Binding affinity to TTR V30M mutant (unknown origin) expressed in Escherichia co... 34547896

Literature References

PubMed DOI Target Context # Activities
16472241 10.2174/1570163043334794 Hepatotoxicity 18
34547896 10.1021/acs.jmedchem.1c00823 Transthyretin 6
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 4
30270002 10.1016/j.bmc.2018.09.020 Inhibitor of nuclear factor kappa-B kinase subunit epsilon 3
- 10.6019/CHEMBL4808148 Histone deacetylase 6 3
30270002 10.1016/j.bmc.2018.09.020 Mus musculus 3
3989816 10.1021/jm50001a005 Rattus norvegicus 3
30270002 10.1016/j.bmc.2018.09.020 Serine/threonine-protein kinase TBK1 3
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M2 2
37468498 10.1038/s41467-023-40064-9 Mu-type opioid receptor 2
37468498 10.1038/s41467-023-40064-9 Androgen receptor 2
37468498 10.1038/s41467-023-40064-9 Gamma-aminobutyric acid receptor subunit alpha-1 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2A 2
37468498 10.1038/s41467-023-40064-9 Alpha-2A adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 1A 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2B 2
27976894 10.1021/acs.jmedchem.6b01431 G-protein coupled receptor 35 1
30270002 10.1016/j.bmc.2018.09.020 No relevant target 1
36055000 10.1016/j.ejmech.2022.114668 G protein-coupled receptor kinase 5 1

Data from ChEMBL 36 via Core Engine