Details of the Drug

General Information of Drug (ID: DM24E08)

Drug Name
(2-Indol-1-yl-ethyl)-dimethyl-amine
Synonyms
1H-Indole-1-ethanamine, N,N-dimethyl-; CHEMBL38633; 87482-09-5; (2-Indol-1-yl-ethyl)-dimethyl-amine; SCHEMBL4060777; CTK3C3615; DTXSID80579188; PSHKCPACSIZILK-UHFFFAOYSA-N; (2-Indol-1-ylethyl)dimethylamine; BDBM50108308; N,N-Dimethyl-1H-indole-1-ethanamine; AKOS013123773; [2-(1H-indol-1-yl)ethyl]dimethylamine; 2-(1H-Indol-1-yl)-N,N-dimethylethan-1-amine
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) 188.27
Logarithm of the Partition Coefficient (xlogp) 2.7
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C12H16N2
IUPAC Name
2-indol-1-yl-N,N-dimethylethanamine
Canonical SMILES
CN(C)CCN1C=CC2=CC=CC=C21
InChI
InChI=1S/C12H16N2/c1-13(2)9-10-14-8-7-11-5-3-4-6-12(11)14/h3-8H,9-10H2,1-2H3
InChIKey
PSHKCPACSIZILK-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
15893127
CAS Number
87482-09-5
TTD ID
D0F1FN

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.