CGP 46381

Ligand id: 1086

Name: CGP 46381

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 73.13
Molecular weight 219.14
XLogP 1.64
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-aminopropyl-(cyclohexylmethyl)phosphinic acid
Synonyms
CGP-46381 | CGP46381
Database Links
BindingDB Ligand 50033017
CAS Registry No. 123691-14-5 (source: Scifinder)
ChEMBL Ligand CHEMBL112362
PubChem CID 130022
RCSB PDB Ligand 381
Search Google for chemical match using the InChIKey XOESDNIUAWGCLU-UHFFFAOYSA-N
Search Google for chemicals with the same backbone XOESDNIUAWGCLU
Search UniChem for chemical match using the InChIKey XOESDNIUAWGCLU-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone XOESDNIUAWGCLU
SynPHARM 2820 (in complex with GABAB receptor)