3 alpha-aminocholestane

Ligand id: 9564

Name: 3 alpha-aminocholestane

Abbreviated name: 3AC

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 26.02
Molecular weight 387.39
XLogP 11.72
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(3R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine
Synonyms
3 α-aminocholestane
Database Links
PubChem CID 10872780
Search Google for chemical match using the InChIKey RJNGJYWAIUJHOJ-DSHIFKSRSA-N
Search Google for chemicals with the same backbone RJNGJYWAIUJHOJ
Search UniChem for chemical match using the InChIKey RJNGJYWAIUJHOJ-DSHIFKSRSA-N
Search UniChem for chemicals with the same backbone RJNGJYWAIUJHOJ
Comments
3AC is an inhibitor of inositol polyphosphate-5-phosphatase D (INPP5D) [1], an enzyme with a role in controlling immune regulatory cell numbers in vivo. INPP5D is more commonly referred to as SHIP1. SHIP1 inhibitors are being investigated as novel agents with potential clinical application in allogeneic transplantation and the treatment of hematologic malignancies.