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
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).
Database Links
BindingDB Ligand 50443390
ChEMBL Ligand CHEMBL1474387
GtoPdb PubChem SID 315661251
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