israpafant

Ligand id: 1857

Name: israpafant

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 71.31
Molecular weight 488.18
XLogP 10.79
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
7-(2-chlorophenyl)-9,13-dimethyl-4-{2-[4-(2-methylpropyl)phenyl]ethyl}-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaene
International Nonproprietary Names
INN number INN
7537 israpafant
Synonyms
Y 24180 | Y-24180
Database Links
CAS Registry No. 117279-73-9 (source: Scifinder)
ChEMBL Ligand CHEMBL2107428
PubChem CID 119175
Search Google for chemical match using the InChIKey RMSWMRJVUJSDGN-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey RMSWMRJVUJSDGN-UHFFFAOYSA-N
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Comments
The INN-assigned compound israpafant is a racemic mixture of two enantiomers. The structure shown here does not specify stereochemistry and represents the mixture.