ABT-384

Ligand id: 7357

Name: ABT-384

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 91.56
Molecular weight 493.27
XLogP 2.63
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[[2-methyl-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propanoyl]amino]adamantane-1-carboxamide
Synonyms
ABT 384 | ABT384
Database Links
CAS Registry No. 868623-40-9 (source: Scifinder)
PubChem CID 11670435
Search Google for chemical match using the InChIKey CLHMYBJIOZXCEX-UHFFFAOYSA-N
Search Google for chemicals with the same backbone CLHMYBJIOZXCEX
Search UniChem for chemical match using the InChIKey CLHMYBJIOZXCEX-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone CLHMYBJIOZXCEX
Comments
A range of medical conditions, including major depressive disorder and Alzheimer's disease, have been associated with excess levels of the stress hormone cortisol. ABT-384 is a potent and selective inhibitor of 11-beta-hydroxysteroid dehydrogenase type 1 (HSD-1) that generates cortisol. It has completed a phase 1 trial [2] but failed a phase II trial for Alzheimer's disease [3]. ChEMBL represents this compound with specified stereochemistry with the entry CHEMBL222670.