ABT-288

Ligand id: 6927

Name: ABT-288

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 26.79
Molecular weight 372.2
XLogP 4.4
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[4-[4-[(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-c]pyrrol-1-yl]phenyl]phenyl]pyridazin-3-one
Synonyms
ABT 288 | ABT288
Database Links
CAS Registry No. 948845-91-8 (source: Scifinder)
PubChem CID 24743471
Search Google for chemical match using the InChIKey GNIRITULTPTAQW-KNQAVFIVSA-N
Search Google for chemicals with the same backbone GNIRITULTPTAQW
Search UniChem for chemical match using the InChIKey GNIRITULTPTAQW-KNQAVFIVSA-N
Search UniChem for chemicals with the same backbone GNIRITULTPTAQW
Comments
ABT-288 is a competitive antagonist with high affinity and selectivity for H3 receptors that enhances the release of acetylcholine and dopamine in rat prefrontal cortex. Has been studied for cognitive impairment associated with Alzheimer’s disease and schizophrenia but is now one of the NCATS repurposing compounds [2]