AT-076

Ligand id: 8870

Name: AT-076

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 4
Rotatable bonds 7
Topological polar surface area 84.83
Molecular weight 437.27
XLogP 3.48
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(3R)-7-hydroxy-N-[(2S)-1-[4-(3-hydroxyphenyl)piperidin-1-yl]-3-methylbutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Database Links
PubChem CID 91938095
Search Google for chemical match using the InChIKey LGYDWJJZDCXEOV-JWQCQUIFSA-N
Search Google for chemicals with the same backbone LGYDWJJZDCXEOV
Search UniChem for chemical match using the InChIKey LGYDWJJZDCXEOV-JWQCQUIFSA-N
Search UniChem for chemicals with the same backbone LGYDWJJZDCXEOV
Comments
AT-076 is an experimental pan antagonist of the opioid receptor family [3].