JDTic

Ligand id: 7362

Name: JDTic

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 465.3
XLogP 4.38
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-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Synonyms
compound 10 [PMID: 11495579]
Database Links
CAS Registry No. 361444-66-8 (source: Scifinder)
ChEMBL Ligand CHEMBL415247
PubChem CID 9956146
RCSB PDB Ligand JDC
Search Google for chemical match using the InChIKey ZLVXBBHTMQJRSX-VMGNSXQWSA-N
Search Google for chemicals with the same backbone ZLVXBBHTMQJRSX
Search UniChem for chemical match using the InChIKey ZLVXBBHTMQJRSX-VMGNSXQWSA-N
Search UniChem for chemicals with the same backbone ZLVXBBHTMQJRSX
SynPHARM 83653 (in complex with κ receptor)
83652 (in complex with κ receptor)
Wikipedia JDTic
Comments
JDTic is a potent and selective κ opioid receptor antagonist [2].