ESI-09   Click here for help

GtoPdb Ligand ID: 7917

Synonyms: ESI 09 | ESI09
Compound class: Synthetic organic
Comment: 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].
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 91.28
Molecular weight 330.09
XLogP 4.27
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES N#CC(=NNc1cccc(c1)Cl)C(=O)c1noc(c1)C(C)(C)C
Isomeric SMILES N#C/C(=N\Nc1cccc(c1)Cl)/C(=O)c1noc(c1)C(C)(C)C
InChI InChI=1S/C16H15ClN4O2/c1-16(2,3)14-8-12(21-23-14)15(22)13(9-18)20-19-11-6-4-5-10(17)7-11/h4-8,19H,1-3H3/b20-13+
InChI Key DXEATJQGQHDURZ-DEDYPNTBSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-(5-tert-butylisoxazol-3-yl)-2-[(3-chlorophenyl)-hydrazono]-3-oxo-propionitrile
Synonyms Click here for help
ESI 09 | ESI09
Database Links Click here for help
CAS Registry No. 263707-16-0 (source: Scifinder)
ChEMBL Ligand CHEMBL3260990
GtoPdb PubChem SID 249565600
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

Product suppliers

View disclaimer

Tocris
ESI 09
Cat. No. 4773