ETAZOLATE

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Synonyms
Status
Molecule Category Free-form
UNII I89Y79062L
EPA CompTox DTXSID4048434

Structure

InChI Key OPQRBXUBWHDHPQ-UHFFFAOYSA-N
Smiles CCOC(=O)c1cnc2c(cnn2CC)c1NN=C(C)C
InChI
InChI=1S/C14H19N5O2/c1-5-19-13-10(8-16-19)12(18-17-9(3)4)11(7-15-13)14(20)21-6-2/h7-8H,5-6H2,1-4H3,(H,15,18)

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H19N5O2
Molecular Weight 289.34
AlogP 2.44
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 81.4
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

Mechanism of Action Action Reference
GABA receptor beta-3 subunit positive allosteric modulator POSITIVE ALLOSTERIC MODULATOR Wikipedia Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - -
Enzyme Phosphodiesterase Phosphodiesterase 4 Phosphodiesterase 4D
- 390 - - -
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- - - - 8.3-20.1
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- - - - 8.3-20.1
Homo sapiens
- 390 - -

Target Conservation

Protein: GABA receptor beta-3 subunit
Description: Gamma-aminobutyric acid receptor subunit beta-3
Organism : Homo sapiens
P28472 ENSG00000166206

Cross References

Resources Reference
ChEBI 138502
ChEMBL CHEMBL356388
FDA SRS I89Y79062L
Guide to Pharmacology 7336
PubChem 3277
SureChEMBL SCHEMBL123840
ZINC ZINC000000001379
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