Details of the Drug

General Information of Drug (ID: DM9UF02)

Drug Name
Brocresine
Synonyms
Brocresine; Brocresin; 555-65-7; 3-(Aminooxymethyl)-6-bromphenol; Brocresinum [INN-Latin]; Brocresina [INN-Spanish]; NSD 1055; Brocresine [USAN:INN:BAN]; UNII-11F6O06WN0; CL 54998; NSD-1055; alpha-(Aminooxy)-6-bromo-m-cresol; C7H8BrNO2; 5-((Aminooxy)methyl)-2-bromophenol; O-)4-Brom-3-hydroxybenzyl)hydroxylamin; BRN 1945736; Phenol, 5-((aminooxy)methyl)-2-bromo-; 4-Bromo-3-hydroxybenzyloxyamine; QNWOSJAGFSUDFE-UHFFFAOYSA-N; 11F6O06WN0; 5-[(Aminooxy)methyl]-2-bromophenol; m-CRESOL, alpha-(AMINOOXY)-6-BROMO-; Brocresina
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 218.05
Logarithm of the Partition Coefficient (xlogp) 1.2
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C7H8BrNO2
IUPAC Name
5-(aminooxymethyl)-2-bromophenol
Canonical SMILES
C1=CC(=C(C=C1CON)O)Br
InChI
InChI=1S/C7H8BrNO2/c8-6-2-1-5(4-11-9)3-7(6)10/h1-3,10H,4,9H2
InChIKey
QNWOSJAGFSUDFE-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11151
CAS Number
555-65-7
TTD ID
D06KMO

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Histidine decarboxylase (HDC) TTV9GOF DCHS_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Histidine decarboxylase (HDC) DTT HDC 5.89E-01 0.16 0.92
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Histamine in brain--its role in regulation of seizure susceptibility. Epilepsy Res. 1991 Nov-Dec;10(2-3):111-8.