Details of the Drug

General Information of Drug (ID: DMHPBQC)

Drug Name
[2-(6-Methoxy-indol-1-yl)-ethyl]-dimethyl-amine
Synonyms CHEMBL38742; [2-(6-Methoxy-indol-1-yl)-ethyl]-dimethyl-amine; BDBM50108320; ZINC13586848
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) 218.29
Logarithm of the Partition Coefficient (xlogp) 1.9
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C13H18N2O
IUPAC Name
2-(6-methoxyindol-1-yl)-N,N-dimethylethanamine
Canonical SMILES
CN(C)CCN1C=CC2=C1C=C(C=C2)OC
InChI
InChI=1S/C13H18N2O/c1-14(2)8-9-15-7-6-11-4-5-12(16-3)10-13(11)15/h4-7,10H,8-9H2,1-3H3
InChIKey
VIEWFQAHIRFETA-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44287445
TTD ID
D0U5HQ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 2A receptor (HTR2A) TTJQOD7 5HT2A_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
5-HT 2A receptor (HTR2A) DTT HTR2A 1.68E-01 -0.3 -0.14
5-HT 2A receptor (HTR2A) DTT HTR2A 5.59E-01 0.15 0.21
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Evaluation of isotryptamine derivatives at 5-HT(2) serotonin receptors. Bioorg Med Chem Lett. 2002 Jan 21;12(2):155-8.