ERK inhibitor III

Ligand id: 5968

Name: ERK inhibitor III

2D Structure

Calculated Physico-chemical Properties
Hydrogen bond acceptors	4
Hydrogen bond donors	2
Rotatable bonds	6
Topological polar surface area	162.19
Molecular weight	318.07
XLogP	3.54
No. Lipinski's rules broken	0

Molecular properties generated using the CDK

Classification
Compound class	Synthetic organic

IUPAC Name
1-nitro-2-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]guanidine

IUPAC Name

1-nitro-2-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]guanidine

Comments
This is compound 89 in [2] where it is described as an ATP-independent inhibitor of ERK1/2, which blocks substrate binding.

Comments

This is compound 89 in [2] where it is described as an ATP-independent inhibitor of ERK1/2, which blocks substrate binding.

Database Links
CAS Registry No.	345616-52-6
ChEMBL Ligand	CHEMBL221271
GtoPdb PubChem SID	178102591
PubChem CID	5339183
Search Google for chemical match using the InChIKey	RODAAYVFYDKHGT-AUWJEWJLSA-N
Search Google for chemicals with the same backbone	RODAAYVFYDKHGT
Search UniChem for chemical match using the InChIKey	RODAAYVFYDKHGT-AUWJEWJLSA-N
Search UniChem for chemicals with the same backbone	RODAAYVFYDKHGT