selonsertib

Ligand id: 9040

Name: selonsertib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 90.52
Molecular weight 445.2
XLogP 4.79
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-yl]benzamide
International Nonproprietary Names
INN number INN
10049 selonsertib
Synonyms
GS-4997
Database Links
CAS Registry No. 1448428-04-3 (source: PubChem)
PubChem CID 71245288
Search Google for chemical match using the InChIKey YIDDLAAKOYYGJG-UHFFFAOYSA-N
Search Google for chemicals with the same backbone YIDDLAAKOYYGJG
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Search UniChem for chemical match using the InChIKey YIDDLAAKOYYGJG-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone YIDDLAAKOYYGJG
Comments
Selonsertib is an orally bioavailable apoptosis signal-regulating kinase 1 (ASK1= mitogen-activated protein kinase kinase kinase 5, MAP3K5) inhibitor being investigated for its anti-fibrotic activity. It is compound I in patent US8742126 [1].