compound 33 [PMID: 19364658]

Ligand id: 8163

Name: compound 33 [PMID: 19364658]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 6
Topological polar surface area 134.41
Molecular weight 338.1
XLogP 1.31
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[[3,4-dioxo-2-(pyridin-4-ylamino)cyclobuten-1-yl]amino]-2-(3-hydroxyphenyl)acetamide
Database Links
ChEMBL Ligand CHEMBL511410
GtoPdb PubChem SID 249565843
PubChem CID 25207521
Search Google for chemical match using the InChIKey GPXKVULNYYNGDP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone GPXKVULNYYNGDP
Search UniChem for chemical match using the InChIKey GPXKVULNYYNGDP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone GPXKVULNYYNGDP
Comments
Compound 33 is a small molecule analogue designed and assessed for inhibitory activity against mitogen activated protein kinase-activated protein kinase 2 (MK2) [1].