Details of the Drug

General Information of Drug (ID: DMS8QF9)

Drug Name
Arimoclomol
Synonyms BRX-345
Indication
Disease Entry ICD 11 Status REF
Cerebrovascular ischaemia 8B1Z Phase 2/3 [1]
Inclusion body myositis 4A41.2 Phase 2/3 [2]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 313.78
Logarithm of the Partition Coefficient (xlogp) 1.2
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C14H20ClN3O3
IUPAC Name
(3Z)-N-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-1-oxidopyridin-1-ium-3-carboximidoyl chloride
Canonical SMILES
C1CCN(CC1)C[C@H](CO/N=C(/C2=C[N+](=CC=C2)[O-])\\Cl)O
InChI
InChI=1S/C14H20ClN3O3/c15-14(12-5-4-8-18(20)9-12)16-21-11-13(19)10-17-6-2-1-3-7-17/h4-5,8-9,13,19H,1-3,6-7,10-11H2/b16-14-/t13-/m1/s1
InChIKey
SGEIEGAXKLMUIZ-XUVDNFPMSA-N
Cross-matching ID
PubChem CID
9568077
CAS Number
289893-25-0
DrugBank ID
DB05025
TTD ID
D0F2PD
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Heat shock protein (HSP) TTG91S4 NOUNIPROTAC Modulator [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 8271).
2 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
3 Arimoclomol, a coinducer of heat shock proteins for the potential treatment of amyotrophic lateral sclerosis. IDrugs. 2010 Jul;13(7):482-96.