Details of the Drug

General Information of Drug (ID: DMTDWIE)

Drug Name
BRX-005
Synonyms Arimoclomol maleate; BRX-220; Bimoclomol derivatives, Biorex
Indication
Disease Entry ICD 11 Status REF
Diabetic foot ulcer BD54 Phase 1 [1]
Amyotrophic lateral sclerosis 8B60.0 Discontinued in Phase 2 [2]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 260.329
Logarithm of the Partition Coefficient (xlogp) 0.8
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C14H20N4O
IUPAC Name
5-(piperidin-1-ylmethyl)-3-pyridin-3-yl-5,6-dihydro-2H-1,2,4-oxadiazine
Canonical SMILES
C1CCN(CC1)CC2CONC(=N2)C3=CN=CC=C3
InChI
InChI=1S/C14H20N4O/c1-2-7-18(8-3-1)10-13-11-19-17-14(16-13)12-5-4-6-15-9-12/h4-6,9,13H,1-3,7-8,10-11H2,(H,16,17)
InChIKey
QWVRTSZDKPRPDF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
6421776
CAS Number
276690-58-5
DrugBank ID
DB05444
TTD ID
D09VWI
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 70 (HSP70) TTHYBIX HS71A_HUMAN ; HS71B_HUMAN Modulator [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Diabetic foot ulcer
ICD Disease Classification BD54
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 800013054)
2 Bimoclomol: a nontoxic, hydroxylamine derivative with stress protein-inducing activity and cytoprotective effects. Nat Med. 1997 Oct;3(10):1150-4.
3 Cardiovascular effects of BRX-005 comparison to bimoclomol. Life Sci. 2000 Aug 25;67(14):1783-9.