Details of the Drug

General Information of Drug (ID: DMC4PF0)

Drug Name
Brolamfetamine
Synonyms
Brolamfetamine; 2,5-Dimethoxy-4-bromoamphetamine; 4-Bromo-2,5-dimethoxyamphetamine; DOB-4; 4-Bromo-2,5-dimethoxyphenylisopropylamine; 4-Bromo-DMA; 32156-26-6; 2,5-Dimethoxy-(4-bromo)phenylisopropylamine; 64638-07-9; 1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine; 1-(2,5-Dimethoxyphenyl-4-bromo)-2-aminopropane; 1-(4-Bromo-2,5-dimethoxyphenyl)-2-aminopropane; 4-Bromo-2,5-dimethoxy-alpha-methylbenzeneethanamine; CHEMBL6607; DOB; DEA No. 7391; Benzeneethanamine, 4-bromo-2,5-dimethoxy-alpha-methyl-; Brolamfetaminum
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) 274.15
Topological Polar Surface Area (xlogp) 2.6
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C11H16BrNO2
IUPAC Name
1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine
Canonical SMILES
CC(CC1=CC(=C(C=C1OC)Br)OC)N
InChI
InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
InChIKey
FXMWUTGUCAKGQL-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
62065
CAS Number
64638-07-9
DrugBank ID
DB01484
TTD ID
D00WEQ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 1A receptor (HTR1A) TTSQIFT 5HT1A_HUMAN Inhibitor [2]
5-HT 1D receptor (HTR1D) TT6MSOK 5HT1D_HUMAN Inhibitor [2]
5-HT 2A receptor (HTR2A) TTJQOD7 5HT2A_HUMAN Inhibitor [3]
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
5-HT 1A receptor (HTR1A) DTT HTR1A 2.18E-01 -0.11 -0.51
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

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