Details of the Drug

General Information of Drug (ID: DMR9Q4Y)

Drug Name
2-(1H-indol-3-yl)-N,N-dimethylethanamine
Synonyms
N,N-Dimethyltryptamine; N,N-DIMETHYLTRYPTAMINE; DIMETHYLTRYPTAMINE; 61-50-7; 3-(2-Dimethylaminoethyl)indole; 2-(3-Indolyl)ethyldimethylamine; N,N-Dimethyl-1H-indole-3-ethylamine; 2-(1H-Indol-3-yl)-N,N-dimethylethanamine; 1H-Indole-3-ethanamine, N,N-dimethyl-; DMT (psychogenic); (psychogenic); UNII-WUB601BHAA; 3-[2-(dimethylamino)ethyl]indole; EINECS 200-508-4; NSC 63795; WUB601BHAA; N,N-dimethyl-1H-Indole-3-ethanamine; BRN 0138259; CHEMBL12420; DEA No 7435; CHEBI:28969; DMULVCHRPCFFGV-UHFFFAOYSA-N; (2-Indol-3-ylethyl)dimethylamine; Indole,; Dimethyltryptamine
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1], [2]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 188.27
Topological Polar Surface Area (xlogp) 2.5
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C12H16N2
IUPAC Name
2-(1H-indol-3-yl)-N,N-dimethylethanamine
Canonical SMILES
CN(C)CCC1=CNC2=CC=CC=C21
InChI
InChI=1S/C12H16N2/c1-14(2)8-7-10-9-13-12-6-4-3-5-11(10)12/h3-6,9,13H,7-8H2,1-2H3
InChIKey
DMULVCHRPCFFGV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
6089
ChEBI ID
CHEBI:28969
CAS Number
61-50-7
DrugBank ID
DB01488
TTD ID
D03DLZ

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 [3], [2]
5-HT 6 receptor (HTR6) TTJS8PY 5HT6R_HUMAN Inhibitor [3]
Opioid receptor sigma 1 (OPRS1) TT5TPI6 SGMR1_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 6 receptor (HTR6) DTT HTR6 1.23E-05 -0.12 -0.71
Opioid receptor sigma 1 (OPRS1) DTT SIGMAR1 2.77E-06 -0.12 -0.62
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

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