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]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

246.35

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

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Molecular Interaction Atlas (MIA)

MIA Detail

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)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 12).
2	2-Substituted tryptamines: agents with selectivity for 5-HT(6) serotonin receptors. J Med Chem. 2000 Mar 9;43(5):1011-8.