General Information of the Compound
Compound ID
CP0332670
Compound Name
2-(2'-methyl-biphenyl-3-yl)-ethylamine
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Synonyms
2-(2''-methyl-biphenyl-3-yl)-ethylamine
2-(2'-methyl-biphenyl-3-yl)-ethylamine
AKOS022255130
BDBM50210124
CHEMBL234885
ZINC28821767
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Structure
Formula
C15H17N
Molecular Weight
211.308
Canonical SMILES
Cc1ccccc1-c1cccc(CCN)c1
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InChI
InChI=1S/C15H17N/c1-12-5-2-3-8-15(12)14-7-4-6-13(11-14)9-10-16/h2-8,11H,9-10,16H2,1H3
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InChIKey
KQRAKUVQYREATE-UHFFFAOYSA-N
Physicochemical Property
logP
3.16322
Rotatable Bonds
3
Heavy Atom Count
16
Polar Areas
26.02
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
16

"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: 35985234
ChEMBL ID
CHEMBL234885
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: PT00941, 5-hydroxytryptamine receptor 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 7.5 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-(2'-methyl-biphenyl-3-yl)-ethylamine )
Drug Name 2-(2'-methyl-biphenyl-3-yl)-ethylamine
Target(s)
5-HT 1A receptor (HTR1A)
Inhibitor
5-HT 7 receptor (HTR7)
Inhibitor