Details of the Drug

General Information of Drug (ID: DMS3AXK)

Drug Name
EDMT
Synonyms
2-Ethyl-5-methoxy-N,N-dimethyltryptamine; EMDT; 2-ethyl-5-methoxy-N,N-dimethyltryptamine; CHEMBL267615; 2-(2-ethyl-5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine; AC1OCFIZ; GTPL12; SCHEMBL2537573; BDBM34142; ZINC13805803; PDSP1_001417; PDSP2_001401; AKOS027422828; NCGC00387149-01; N,N-Dimethyl-2-ethyl-5-methoxy-1H-indole-3-ethanamine; [2-(2-ethyl-5-methoxy-1H-indol-3-yl)ethyl]dimethylamine,
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) 246.35
Topological Polar Surface Area (xlogp) 3.2
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C15H22N2O
IUPAC Name
2-(2-ethyl-5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine
Canonical SMILES
CCC1=C(C2=C(N1)C=CC(=C2)OC)CCN(C)C
InChI
InChI=1S/C15H22N2O/c1-5-14-12(8-9-17(2)3)13-10-11(18-4)6-7-15(13)16-14/h6-7,10,16H,5,8-9H2,1-4H3
InChIKey
ZEYRDXUWJDGTLD-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
6918513
TTD ID
D0CK9K

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 Agonist [3]
5-HT 1D receptor (HTR1D) TT6MSOK 5HT1D_HUMAN Agonist [3]
5-HT 1E receptor (HTR1E) TTCPG9S 5HT1E_HUMAN Agonist [3]
5-HT 5A receptor (HTR5A) TTRUFDT 5HT5A_HUMAN Agonist [3]
5-HT 6 receptor (HTR6) TTJS8PY 5HT6R_HUMAN Inhibitor [3], [2]
5-HT 7 receptor (HTR7) TTO9X1H 5HT7R_HUMAN Agonist [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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