ESI-09

Ligand id: 7917

Name: ESI-09

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 91.28
Molecular weight 330.09
XLogP 5.04
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-(5-tert-butylisoxazol-3-yl)-2-[(3-chlorophenyl)-hydrazono]-3-oxo-propionitrile
Synonyms
ESI 09 | ESI09
Database Links
CAS Registry No. 263707-16-0 (source: Scifinder)
ChEMBL Ligand CHEMBL3260990
PubChem CID 6077765
Search Google for chemical match using the InChIKey DXEATJQGQHDURZ-DEDYPNTBSA-N
Search Google for chemicals with the same backbone DXEATJQGQHDURZ
Search UniChem for chemical match using the InChIKey DXEATJQGQHDURZ-DEDYPNTBSA-N
Search UniChem for chemicals with the same backbone DXEATJQGQHDURZ
Comments
ESI-09 is a selective noncyclic nucleotide antagonist which can be used as a pharmacological probe of EPAC (exchange protein directly activated by cAMP) function [1,3].