Details of the Drug

General Information of Drug (ID: DMHBE0X)

Drug Name
2-(2-Bromophenoxy)-N,N-dimethylethanamine
Synonyms
886851-37-2; 2-(2-Dimethylaminoethoxy)-bromobenzene; 2-(2-Bromophenoxy)-N,N-dimethylethanamine; CHEMBL599818; [2-(2-bromophenoxy)ethyl]dimethylamine; AC1LHJHJ; SCHEMBL1857526; DTXSID50358341; MolPort-004-331-572; ZINC4914895; KS-000000PE; BDBM50307492; 2-(2-dimethylaminoethoxy)bromobenzene; AKOS000170274; MCULE-8721188188; AM87375; AS-44355; AJ-52607; KB-323008; Y-0778
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) 244.13
Logarithm of the Partition Coefficient (xlogp) 2.9
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C10H14BrNO
IUPAC Name
2-(2-bromophenoxy)-N,N-dimethylethanamine
Canonical SMILES
CN(C)CCOC1=CC=CC=C1Br
InChI
InChI=1S/C10H14BrNO/c1-12(2)7-8-13-10-6-4-3-5-9(10)11/h3-6H,7-8H2,1-2H3
InChIKey
OUWAXRLVNYTZJK-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
888311
ChEBI ID
CHEMBL599818
CAS Number
886851-37-2
TTD ID
D02HZG
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 7 receptor (HTR7) TTO9X1H 5HT7R_HUMAN Inhibitor [1]
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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 7 receptor (HTR7) DTT HTR7 9.79E-01 -0.08 -0.32
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 SAR studies on new bis-aryls 5-HT7 ligands: Synthesis and molecular modeling. Bioorg Med Chem. 2010 Mar 1;18(5):1958-67.