General Information of the Compound
Compound ID
CP0144979
Compound Name
1-(phenylsulfonyl)-4-(piperazin-1-yl)-1H-indole
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Synonyms
1-(benzenesulfonyl)-4-(1-piperazinyl)indole
1-(phenylsulfonyl)-4-(1-piperazinyl)-1h-indole
1-(phenylsulfonyl)-4-(piperazin-1-yl)-1H-indole
1-(phenylsulfonyl)-4-piperazin-1-y1-1H-indole
1-(phenylsulfonyl)-4-piperazin-1-yl-1H-indole
1-(phenylsulfonyl)-4-piperazin-1-yl-indole
1-(phenylsulfonyl)-4-piperzin-1-yl-1H-indole
1-Benzenesulfonyl-4-piperazin-1-yl-1H-indole
412049-71-9
BDBM50174269
CHEMBL370779
DTXSID90436238
FT-0724295
OPAMDWUUNKYGOR-UHFFFAOYSA-N
SCHEMBL1136504
ZINC3210
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Structure
Formula
C18H19N3O2S
Molecular Weight
341.436
Canonical SMILES
O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCNCC1
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InChI
InChI=1S/C18H19N3O2S/c22-24(23,15-5-2-1-3-6-15)21-12-9-16-17(7-4-8-18(16)21)20-13-10-19-11-14-20/h1-9,12,19H,10-11,13-14H2
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InChIKey
OPAMDWUUNKYGOR-UHFFFAOYSA-N
Physicochemical Property
logP
2.2879
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
54.34
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 10154392
SID: 15147463
ChEMBL ID
CHEMBL370779
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
CL000026 CHO-K1
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
Ki = 0.3 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  2
1
Ki = 0.3 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
Ki = 1 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000017 HeLa
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 0.3162 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 1 nM
Clinical Information about the Compound
Drug 1 ( 1-(phenylsulfonyl)-4-(piperazin-1-yl)-1H-indole )
Drug Name 1-(phenylsulfonyl)-4-(piperazin-1-yl)-1H-indole
Target(s)
5-HT 6 receptor (HTR6)
 Target Info 
Inhibitor