AMLEXANOX

Search structure
Trade Names:
Synonyms:
Status: Approved (1996)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: A01AD07
UNII: BRL1C2459K

Structure
InChI Key SGRYPYWGNKJSDL-UHFFFAOYSA-N
Smile CC(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H14N2O4
Molecular Weight 298.3
AlogP 2.75
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 106.42
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 22.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Phosphodiesterase 4 inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 4.03
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase GRK family AGC protein kinase GRK subfamily
- 8860 - - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase IKK family
- 850-980 - - 50
Enzyme Kinase Protein Kinase Other protein kinase group
- 850-980 - - 29
Enzyme Protease Serine protease Serine protease PA clan Serine protease S1A subfamily
- - - - 4.03
Enzyme Transferase
- - - - 96.1-117.49
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 98.16-108.47
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Carboxylic acid receptor Kynurenic acid receptor
4000 - - - -
Secreted protein
- - 20000 - -
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 104000 - - -
Transporter Primary active transporter ATP-binding cassette ABCC subfamily
- 2200 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Stomatitis 2 D013280 ClinicalTrials

Related Entries

Scaffolds

Side Effects from Label

Cross References

Resources Reference
CAS NUMBER 68302-57-8
ChEBI 31205
ChEMBL CHEMBL1096
DrugBank DB01025
DrugCentral 182
EPA CompTox DTXSID2022595
FDA SRS BRL1C2459K
Human Metabolome Database HMDB15160
Guide to Pharmacology 7113
PDB ANW
PharmGKB PA164745310
PubChem 2161
SureChEMBL SCHEMBL29642
ZINC ZINC000000000928
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