General Information of the Compound
Compound ID
CP0503480
Compound Name
3-(1-Benzyl-piperidin-4-yl)-2-phenyl-1H-indole
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Synonyms
3-(1-Benzyl-piperidin-4-yl)-2-phenyl-1H-indole
BDBM50095051
CHEMBL327169
L018754
SCHEMBL7955758
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Structure
Formula
C26H26N2
Molecular Weight
366.508
Canonical SMILES
C(N1CCC(CC1)c1c([nH]c2ccccc12)-c1ccccc1)c1ccccc1
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InChI
InChI=1S/C26H26N2/c1-3-9-20(10-4-1)19-28-17-15-21(16-18-28)25-23-13-7-8-14-24(23)27-26(25)22-11-5-2-6-12-22/h1-14,21,27H,15-19H2
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InChIKey
DGLKVJXUWHYMSL-UHFFFAOYSA-N
Physicochemical Property
logP
6.2145
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
19.03
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
28

"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: 18354719
ChEMBL ID
CHEMBL327169
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: PT00825, 5-hydroxytryptamine receptor 2A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 28 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 3-(1-Benzyl-piperidin-4-yl)-2-phenyl-1H-indole )
Drug Name 3-(1-Benzyl-piperidin-4-yl)-2-phenyl-1H-indole
Target(s)
5-HT 2A receptor (HTR2A)
Inhibitor