General Information of the Compound
Compound ID
CP0402012
Compound Name
3-(phenylsulfonyl)-1-(piperidin-4-yl)-1H-indole
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Synonyms
1H-Indole, 3-(phenylsulfonyl)-1-(4-piperidinyl)-
3-(phenylsulfonyl)-1-(piperidin-4-yl)-1H-indole
651335-50-1
BDBM50313128
CHEMBL1080574
CTK1J9032
DTXSID00437312
SCHEMBL4077678
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Structure
Formula
C19H20N2O2S
Molecular Weight
340.448
Canonical SMILES
O=S(=O)(c1cn(C2CCNCC2)c2ccccc12)c1ccccc1
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InChI
InChI=1S/C19H20N2O2S/c22-24(23,16-6-2-1-3-7-16)19-14-21(15-10-12-20-13-11-15)18-9-5-4-8-17(18)19/h1-9,14-15,20H,10-13H2
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InChIKey
VDJWPWVFSZYDTQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.3986
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
51.1
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 10246639
SID: 15249636
ChEMBL ID
CHEMBL1080574
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
CL000017 HeLa
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 91 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 3-(phenylsulfonyl)-1-(piperidin-4-yl)-1H-indole )
Drug Name 3-(phenylsulfonyl)-1-(piperidin-4-yl)-1H-indole
Target(s)
5-HT 6 receptor (HTR6)
 Target Info 
Inhibitor