Details of the Drug

General Information of Drug (ID: DMOP95G)

Drug Name
Bimoclomol
Synonyms ABT-822; BRLP-42; BRX-211
Indication
Disease Entry ICD 11 Status REF
Diabetic complication 5A2Y Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 297.78
Logarithm of the Partition Coefficient (xlogp) 2.2
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C14H20ClN3O2
IUPAC Name
(3Z)-N-(2-hydroxy-3-piperidin-1-ylpropoxy)pyridine-3-carboximidoyl chloride
Canonical SMILES
C1CCN(CC1)CC(CO/N=C(/C2=CN=CC=C2)\\Cl)O
InChI
InChI=1S/C14H20ClN3O2/c15-14(12-5-4-6-16-9-12)17-20-11-13(19)10-18-7-2-1-3-8-18/h4-6,9,13,19H,1-3,7-8,10-11H2/b17-14-
InChIKey
NMOVJBAGBXIKCG-VKAVYKQESA-N
Cross-matching ID
PubChem CID
9576891
CAS Number
130493-03-7
DrugBank ID
DB06258
TTD ID
D0U1SI

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Heat shock protein 70 (HSP70) TTHYBIX HS71A_HUMAN ; HS71B_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Diabetic complication
ICD Disease Classification 5A2Y
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Heat shock protein 70 (HSP70) DTT HSPA1A; HSPA1B 1.03E-20 0.32 1.2
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800004241)
2 Bimoclomol elevates heat shock protein 70 and cytoprotects rat neonatal cardiomyocytes. Eur J Pharmacol. 2002 Jan 18;435(1):73-7.