General Information of the Compound
Compound ID
CP0135451
Compound Name
2-(5-methoxy-2-phenyl-1H-indol-3-yl)-N,N-dimethylethanamine
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Synonyms
17375-63-2
1H-Indole-3-ethanamine, 5-methoxy-N,N-dimethyl-2-phenyl-
2-(5-methoxy-2-phenyl-1H-indol-3-yl)-N,N-dimethylethanamine
5-Methoxy-N,N-dimethyl-2-phenyl-1H-indole-3-ethanamine
6G5F6ESV5I
AC1OCFJ3
AKOS024457555
BDBM50085970
BGC 20-761
BGC-20-761
CHEMBL7318
GTPL71
Indole, 3-(2-(dimethylamino)ethyl)-5-methoxy-2-phenyl-
MPDT
MolPort-023-276-754
N,N-Dimethyl-2-(5-methoxy-2-phenylindol-3-yl)ethylamine
NCGC00370860-01
PDSP1_001418
PDSP2_001402
SCHEMBL5763578
UNII-6G5F6ESV5I
ZINC13805807
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Structure
Formula
C19H22N2O
Molecular Weight
294.398
Canonical SMILES
COc1ccc2[nH]c(c(CCN(C)C)c2c1)-c1ccccc1
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InChI
InChI=1S/C19H22N2O/c1-21(2)12-11-16-17-13-15(22-3)9-10-18(17)20-19(16)14-7-5-4-6-8-14/h4-10,13,20H,11-12H2,1-3H3
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InChIKey
VSGPGYWZVPDDSK-UHFFFAOYSA-N
Physicochemical Property
logP
3.9476
Rotatable Bonds
5
Heavy Atom Count
22
Polar Areas
28.26
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
22

"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: 6918515
SID: 14849307
ChEMBL ID
CHEMBL7318
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)  1
1
Ki = 54 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 20 nM
2 Ki = 50.12 nM
Clinical Information about the Compound
Drug 1 ( MPDT )
Drug Name MPDT
Target(s)
5-HT 2A receptor (HTR2A)
Antagonist
5-HT 1A receptor (HTR1A)
Antagonist
5-HT 1D receptor (HTR1D)
Antagonist
5-HT 5A receptor (HTR5A)
Antagonist
5-HT 2C receptor (HTR2C)
Antagonist
5-HT 7 receptor (HTR7)
Antagonist
5-HT 6 receptor (HTR6)
Antagonist