General Information of the Compound
Compound ID
CP0080534
Compound Name
2-ethyl-5-methoxy-N,N-dimethyltryptamine
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Synonyms
2-(2-ethyl-5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine
2-Ethyl-5-methoxy-N,N-dimethyltryptamine
2-ethyl-5-methoxy-N,N-dimethyltryptamine
AC1OCFIZ
AKOS027422828
BDBM34142
CHEMBL267615
EDMT
EMDT
GTPL12
N,N-Dimethyl-2-ethyl-5-methoxy-1H-indole-3-ethanamine
NCGC00387149-01
PDSP1_001417
PDSP2_001401
SCHEMBL2537573
ZINC13805803
[2-(2-ethyl-5-methoxy-1H-indol-3-yl)ethyl]dimethylamine,
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Structure
Formula
C15H22N2O
Molecular Weight
246.354
Canonical SMILES
CCc1[nH]c2ccc(OC)cc2c1CCN(C)C
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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
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InChIKey
ZEYRDXUWJDGTLD-UHFFFAOYSA-N
Physicochemical Property
logP
2.843
Rotatable Bonds
5
Heavy Atom Count
18
Polar Areas
28.26
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
18

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 6918513
SID: 15196611
ChEMBL ID
CHEMBL267615
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  3
1
IC50 = 85 nM
   TI
   LI
   LO
   TS
2
Ki = 16 nM
   TI
   LI
   LO
   TS
3
Ki = 52 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 85 nM
2 Ki = 16 nM
3 Ki < 50 nM
Clinical Information about the Compound
Drug 1 ( EDMT )
Drug Name EDMT
Target(s)
5-HT 1D receptor (HTR1D)
Agonist
5-HT 1A receptor (HTR1A)
Agonist
5-HT 7 receptor (HTR7)
Agonist
5-HT 5A receptor (HTR5A)
Agonist
5-HT 1E receptor (HTR1E)
Agonist
5-HT 6 receptor (HTR6)
Inhibitor