General Information of the Compound
Compound ID
CP0156235
Compound Name
3,N-Dimethyl-N-[(R)-1-methyl-3-(4-methyl-piperidin-1-yl)-propyl]-benzenesulfonamide
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Synonyms
195199-95-2
3,N-Dimethyl-N-[(R)-1-methyl-3-(4-methyl-piperidin-1-yl)-propyl]-benzenesulfonamide
4-Methyl-1-[(R)-3-methyl-4-(toluene-3-sulfonyl)-pentyl]-piperidine
AC1NSM3U
BDBM50098550
Benzenesulfonamide, N,3-dimethyl-N-(1-methyl-3-(4-methyl-1-piperidinyl)propyl)-, (R)-
CHEMBL12264
CS-0035396
GTPL281
HY-U00443
N,3-dimethyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide
SB 258719
SB-258,719
SB-258719
SB-258719, &gt
SB258719
SCHEMBL2471088
ZINC7275
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Structure
Formula
C18H30N2O2S
Molecular Weight
338.517
Canonical SMILES
C[C@H](CCN1CCC(C)CC1)N(C)S(=O)(=O)c1cccc(C)c1
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InChI
InChI=1S/C18H30N2O2S/c1-15-8-11-20(12-9-15)13-10-17(3)19(4)23(21,22)18-7-5-6-16(2)14-18/h5-7,14-15,17H,8-13H2,1-4H3/t17-/m1/s1
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InChIKey
AGVNHDNTFYHZNL-QGZVFWFLSA-N
Physicochemical Property
logP
3.12602
Rotatable Bonds
6
Heavy Atom Count
23
Polar Areas
40.62
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 5312148
SID: 14924753
ChEMBL ID
CHEMBL12264
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: PT00819, 5-hydroxytryptamine receptor 1A
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
Ki > 7943 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki < 7943.28 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki > 3000 nM
Protein ID: PT01202, 5-hydroxytryptamine receptor 1B
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
Ki < 5011.87 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
Ki = 3162.28 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT02507, 5-hydroxytryptamine receptor 1E
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
Ki < 15848.93 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT02458, 5-hydroxytryptamine receptor 1F
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
Ki < 6309.57 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
 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 < 15848.93 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
 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 < 5011.87 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
 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 < 15848.93 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
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 < 15848.93 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT01746, 5-hydroxytryptamine receptor 7
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
Ki = 31.6 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  2
1
Ki = 31.62 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
Ki = 32 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 31.6 nM
2 Ki = 32 nM
Protein ID: PT01005, D(2) dopamine receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000041 LTK-
 Cell Line Info 
Mus musculus (Mouse)  1
1
Ki = 3981 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
Ki = 3981.07 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT00943, D(3) dopamine receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
Ki = 3981.07 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( SB-258719 )
Drug Name SB-258719
Target(s)
Dopamine D2 receptor (D2R)
 Target Info 
Inhibitor
5-HT 7 receptor (HTR7)
 Target Info 
Inhibitor