General Information of the Compound
Compound ID
CP0498238
Compound Name
4-(1H-Indol-3-ylmethyl)-phenylamine
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Synonyms
134627-70-6
4-(1H-Indol-3-ylmethyl)-phenylamine
4-(1H-indol-3-ylmethyl)aniline
4-[(1H-Indol-3-yl)methyl]aniline
AC1N7FQI
ACMC-20mvfl
BDBM50164747
Benzenamine, 4-(1H-indol-3-ylmethyl)-
CHEMBL364248
CTK0F4358
DTXSID30401708
SCHEMBL4224120
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Structure
Formula
C15H14N2
Molecular Weight
222.291
Canonical SMILES
Nc1ccc(Cc2c[nH]c3ccccc23)cc1
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InChI
InChI=1S/C15H14N2/c16-13-7-5-11(6-8-13)9-12-10-17-15-4-2-1-3-14(12)15/h1-8,10,17H,9,16H2
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InChIKey
KDXYOBVEKNURNB-UHFFFAOYSA-N
Physicochemical Property
logP
3.3409
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
41.81
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
1
Complexity
17

"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: 4301799
ChEMBL ID
CHEMBL364248
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
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 2530 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 4-(1H-Indol-3-ylmethyl)-phenylamine )
Drug Name 4-(1H-Indol-3-ylmethyl)-phenylamine
Target(s)
5-HT 6 receptor (HTR6)
 Target Info 
Inhibitor