etazolate   Click here for help

GtoPdb Ligand ID: 7336

Synonyms: EHT-0202 | SQ 20009
Compound class: Synthetic organic
Comment: Has anxiolytic effects as positive allosteric modulator of the GABAA receptor at the barbiturate binding site, as an adenosine antagonist of the A1 and A2 receptor subtypes and as a phosphodiesterase inhibitor selective for the PDE4 isoform. It is currently in clinical trials for the treatment of Alzheimer's disease with a possible MMOA of upregulating alpha-secretase activity.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 81.4
Molecular weight 289.15
XLogP 3.43
No. Lipinski's rules broken 0
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Canonical SMILES CCOC(=O)c1cnc2c(c1NN=C(C)C)cnn2CC
Isomeric SMILES CCOC(=O)c1cnc2c(c1NN=C(C)C)cnn2CC
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)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
ethyl 1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[4,5-e]pyridine-5-carboxylate
International Nonproprietary Names Click here for help
INN number INN
3736 etazolate
Synonyms Click here for help
EHT-0202 | SQ 20009
Database Links Click here for help
CAS Registry No. 35838-58-5 (source: PubChem)
ChEMBL Ligand CHEMBL356388
GtoPdb PubChem SID 178103908
PubChem CID 3277
Search Google for chemical match using the InChIKey OPQRBXUBWHDHPQ-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey OPQRBXUBWHDHPQ-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey OPQRBXUBWHDHPQ-UHFFFAOYSA-N
Wikipedia Etazolate