rosiptor

Ligand id: 9249

Name: rosiptor

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 66.48
Molecular weight 321.27
XLogP 3.55
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(1S,3S,4R)-4-[(3aS,4R,5S,7aS)-4-(aminomethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-3-(hydroxymethyl)-4-methylcyclohexan-1-ol
International Nonproprietary Names
INN number INN
10126 rosiptor
Synonyms
AQX-1125
Database Links
CAS Registry No. 782487-28-9 (source: WHO INN record)
PubChem CID 76965484
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Comments
Rosiptor (AQX-1125) is an investigational allosteric activator of the SH2 domain-containing inositol 5'-phosphatase 1, SHIP1 (HGNC gene symbol INPP5D), with potential anti-inflammatory action [3]. AQX-1125 is claimed in patent WO2014158654, where it appears to be referred to as compound 9 (without the acatate) [1].