General Information of the Compound
Compound ID
CP0099906
Compound Name
N-(2,5-dibromo-3-fluorophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
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Synonyms
AC1OCFKU
BDBM50130268
CHEMBL329383
GTPL3235
L020233
N-(2,5-dibromo-3-fluorophe-nyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
N-(2,5-dibromo-3-fluorophenyl)-4-methoxy-3-(piperazin-1-yl)benzene-1-sulfonamide
N-(2,5-dibromo-3-fluorophenyl)-4-methoxy-3-(piperazin-1-yl)benzenesulfonamide
N-(2,5-dibromo-3-fluorophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
PDSP1_001374
PDSP2_001358
SB 357134
SB-357,134
SB-357134
SB357134
SCHEMBL678563
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Structure
Formula
C17H18Br2FN3O3S
Molecular Weight
523.222
Canonical SMILES
COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Br)cc(F)c1Br
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InChI
InChI=1S/C17H18Br2FN3O3S/c1-26-16-3-2-12(10-15(16)23-6-4-21-5-7-23)27(24,25)22-14-9-11(18)8-13(20)17(14)19/h2-3,8-10,21-22H,4-7H2,1H3
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InChIKey
BLWHAZZXRHTFJE-UHFFFAOYSA-N
Physicochemical Property
logP
3.5697
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
70.67
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
27

"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: 6918553
SID: 12015478
ChEMBL ID
CHEMBL329383
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 = 3 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 3 nM
2 Ki = 3.162 nM
Clinical Information about the Compound
Drug 1 ( SB-357134 )
Drug Name SB-357134
Target(s)
5-HT 6 receptor (HTR6)
 Target Info 
Inhibitor