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 | AQX1125
Database Links
CAS Registry No. 782487-28-9 (source: WHO INN record)
GtoPdb PubChem SID 315661324
PubChem CID 76965484
Search Google for chemical match using the InChIKey MDEJTPWQNNMAQF-BVMLLJBZSA-N
Search Google for chemicals with the same backbone MDEJTPWQNNMAQF
Search PubMed clinical trials rosiptor
Search PubMed titles rosiptor
Search PubMed titles/abstracts rosiptor
Search UniChem for chemical match using the InChIKey MDEJTPWQNNMAQF-BVMLLJBZSA-N
Search UniChem for chemicals with the same backbone MDEJTPWQNNMAQF
Comments
Rosiptor (AQX-1125) is an investigational allosteric activator of the SH2 domain-containing inositol 5'-phosphatase 1, SHIP1 (HGNC gene symbol INPP5D) [3]. SHIP1 is a negative regulatory phosphatase in the PI3K pathway, a signalling pathway that plays a central role in cellular activation, proliferation, and survival, and which is strongly implicated in inflammatory disorders and cancer. Agonists that activate SHIP1 are being actively developed (as alternatives to direct PI3K inhibitors) for their potential anti-inflammatory action. AQX-1125 is claimed in patent WO2014158654, where it appears to be referred to as compound 9 (without the acetate) [1].