General Information of the Compound
Compound ID
CP0149650
Compound Name
2-(1-benzyl-1H-indol-3-yl)-N,N-dimethylethanamine
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Synonyms
2-(1-benzyl-1H-indol-3-yl)-N,N-dimethylethanamine
BDBM50164758
CHEMBL188144
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Structure
Formula
C19H22N2
Molecular Weight
278.399
Canonical SMILES
CN(C)CCc1cn(Cc2ccccc2)c2ccccc12
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InChI
InChI=1S/C19H22N2/c1-20(2)13-12-17-15-21(14-16-8-4-3-5-9-16)19-11-7-6-10-18(17)19/h3-11,15H,12-14H2,1-2H3
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InChIKey
QBWKAYAFIXQNCU-UHFFFAOYSA-N
Physicochemical Property
logP
3.7937
Rotatable Bonds
5
Heavy Atom Count
21
Polar Areas
8.17
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
21

"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: 44397102
ChEMBL ID
CHEMBL188144
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 = 6 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 6 nM
Clinical Information about the Compound
Drug 1 ( 2-(1-benzyl-1H-indol-3-yl)-N,N-dimethylethanamine )
Drug Name 2-(1-benzyl-1H-indol-3-yl)-N,N-dimethylethanamine
Target(s)
5-HT 6 receptor (HTR6)
Inhibitor