ERK inhibitor III

Ligand id: 5968

Name: ERK inhibitor III

Structure and Physico-chemical Properties

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 4.57
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
Database Links
CAS Registry No. 345616-52-6
ChEMBL Ligand CHEMBL221271
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
Comments
This is compound 89 in [2] where it is described as an ATP-independent inhibitor of ERK1/2, which blocks substrate binding.