RIPK3 inhibitor 18

Ligand id: 10389

Name: RIPK3 inhibitor 18

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 101.8
Molecular weight 512.19
XLogP 4.85
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-{4-[(2-cyclopropaneamidopyridin-4-yl)oxy]-2,3-dimethylphenyl}-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
Comments
Compound 18 is a type II DFG-out RIPK3 inhibitor [2]. It was identified by a team in Bristol-Myers Squibb Research & Development laboratories.
Database Links
GtoPdb PubChem SID 384403668
Search Google for chemical match using the InChIKey PETCZXAONWLUFT-UHFFFAOYSA-N
Search Google for chemicals with the same backbone PETCZXAONWLUFT
Search UniChem for chemical match using the InChIKey PETCZXAONWLUFT-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone PETCZXAONWLUFT