NCGC 84

Ligand id: 9168

Name: NCGC 84

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 50.93
Molecular weight 465.16
XLogP 12.75
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Synonyms
ML 154 | NCGC 00185684 | NCGC00185684
Database Links
BindingDB Ligand 50443390
ChEMBL Ligand CHEMBL1474387
PubChem CID 44634573
Search Google for chemical match using the InChIKey VSWYSDPXUHVQCG-DTQAZKPQSA-N
Search Google for chemicals with the same backbone VSWYSDPXUHVQCG
Search UniChem for chemical match using the InChIKey VSWYSDPXUHVQCG-DTQAZKPQSA-N
Search UniChem for chemicals with the same backbone VSWYSDPXUHVQCG
Comments
NCGC 84 is a competitive, selective, and brain penetrant NPS receptor antagonist [1]. We show the parent molecule, which is used experimentally as the bromide (PubChem CID 46930969).