arimoclomol

Ligand id: 8271

Name: arimoclomol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 72
Molecular weight 313.12
XLogP 1.42
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-1-oxidopyridin-1-ium-3-carboximidoyl chloride
International Nonproprietary Names
INN number INN
8300 arimoclomol
Synonyms
BRX-220 | BRX220
Comments
Arimoclomol is an oral therapeutic candidate for the treatment of amyotrophic lateral sclerosis (ALS). Arimoclomol may be delivered as the citrate salt (BRX-345 with PubChem CID 72710735)
Database Links
CAS Registry No. 289893-25-0
ChEMBL Ligand CHEMBL2107726
GtoPdb PubChem SID 252166483
PubChem CID 9568077
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