ETAZOLATE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: I89Y79062L

Structure
InChI Key OPQRBXUBWHDHPQ-UHFFFAOYSA-N
Smile 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

Action Mechanism of Action Reference
POSITIVE ALLOSTERIC MODULATOR GABA receptor beta-3 subunit positive allosteric modulator Wikipedia Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - -
Enzyme Phosphodiesterase Phosphodiesterase 1 Phosphodiesterase 1A
- - - 60000 -
Enzyme Phosphodiesterase Phosphodiesterase 1 Phosphodiesterase 1B
- - - 60000 -
Enzyme Phosphodiesterase Phosphodiesterase 1 Phosphodiesterase 1C
- - - 60000 -
Enzyme Phosphodiesterase Phosphodiesterase 3 Phosphodiesterase 3A
- - - 12000 -
Enzyme Phosphodiesterase Phosphodiesterase 3 Phosphodiesterase 3B
- - - 12000 -
Enzyme Phosphodiesterase Phosphodiesterase 4 Phosphodiesterase 4D
- 390 - - -
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- - - - 8-20

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Alzheimer Disease 2 D000544 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 138502
ChEMBL CHEMBL356388
EPA CompTox DTXSID4048434
FDA SRS I89Y79062L
Guide to Pharmacology 7336
PubChem 3277
SureChEMBL SCHEMBL123840
ZINC ZINC000000001379
CONTENTS