AMLEXANOX

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC A01AD07 R03DX01
UNII BRL1C2459K
EPA CompTox DTXSID2022595

Structure

InChI Key SGRYPYWGNKJSDL-UHFFFAOYSA-N
Smiles 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

Mechanism of Action Action Reference
Phosphodiesterase 4 inhibitor INHIBITOR ISBN PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase IKK family
- 850-851.14 - - 50
Enzyme Kinase Protein Kinase Other protein kinase group
- 850-851.14 - - 29
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 850-851.14 - - 29-50

Target Conservation

Protein: Phosphodiesterase 4
Description: cAMP-specific 3',5'-cyclic phosphodiesterase 4A
Organism : Homo sapiens
P27815 ENSG00000065989
Protein: Phosphodiesterase 4
Description: cAMP-specific 3',5'-cyclic phosphodiesterase 4B
Organism : Homo sapiens
Q07343 ENSG00000184588
Protein: Phosphodiesterase 4
Description: cAMP-specific 3',5'-cyclic phosphodiesterase 4C
Organism : Homo sapiens
Q08493 ENSG00000105650
Protein: Phosphodiesterase 4
Description: cAMP-specific 3',5'-cyclic phosphodiesterase 4D
Organism : Homo sapiens
Q08499 ENSG00000113448

Cross References

Resources Reference
ChEBI 31205
ChEMBL CHEMBL1096
DrugBank DB01025
DrugCentral 182
FDA SRS BRL1C2459K
Human Metabolome Database HMDB0015160
Guide to Pharmacology 7113
PDB ANW
PharmGKB PA164745310
PubChem 2161
SureChEMBL SCHEMBL29642
ZINC ZINC000000000928
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