seltorexant

Ligand id: 9308

Name: seltorexant

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 79.52
Molecular weight 407.19
XLogP 3.49
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone
International Nonproprietary Names
INN number INN
10352 seltorexant
Synonyms
JNJ-42847922 | JNJ-922 | JNJ42847922 | MIN-202
Comments
Seltorexant (JNJ-42847922) is an investigational, selective OX2 receptor antagonist (2-SORA) [1]. It is one of the compounds claimed in patent WO2011050198, where it is Example 107 [2]. This compound is being developed jointly by Minerva Neurosciences and Janssen Pharmaceuticals for the treatment of major depression disorder and insomnia.
Database Links
BindingDB Ligand 118454
GtoPdb PubChem SID 318164827
PubChem CID 67116280
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