General Information of the Compound
Compound ID
CP0282477
Compound Name
4-[3-(Methylsulfonyl)phenyl]-1-propylpiperidine
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Synonyms
Huntexil
346688-38-8
4-(3-(Methylsulfonyl)phenyl)-1-propylpiperidine
4-(3-Methanesulfonyl-phenyl)-1-propyl-piperidine
4-[3-(Methylsulfonyl)phenyl]-1-propylpiperidine
ACR 16
ACR-16
ACR16
AJ-80925
AKOS015891431
AS-50146
ASP 2314
ASP-2314
AX8258340
BDBM50308028
CHEMBL596802
CS-0002733
CTK4H2809
DB-014417
DB11947
DTXSID90188225
Dopamine modulator (Huntingtons disease), Carlsson Research
Dopamine modulator (Huntingtons disease), NeuroSearch
Dopamine modulator (neurological disorders), Merck & Co
Dopamine modulator (schizophrenia), Astellas
Dopamine modulator (schizophrenia), Fujisawa
FR 310826
FR310826
FT-0672149
HD4TW8S2VK
HY-10684
NCGC00386586-01
PRIDOPIDINE
Pridopidine
Pridopidine (USAN/INN)
Pridopidine [USAN:INN]
Pridopidine hydrochloride
SCHEMBL166748
UNII-HD4TW8S2VK
ZINC22063703
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Structure
Formula
C15H23NO2S
Molecular Weight
281.421
Canonical SMILES
CCCN1CCC(CC1)c1cccc(c1)S(C)(=O)=O
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InChI
InChI=1S/C15H23NO2S/c1-3-9-16-10-7-13(8-11-16)14-5-4-6-15(12-14)19(2,17)18/h4-6,12-13H,3,7-11H2,1-2H3
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InChIKey
YGKUEOZJFIXDGI-UHFFFAOYSA-N
CAS
346688-38-8
Physicochemical Property
logP
2.6795
Rotatable Bonds
4
Heavy Atom Count
19
Polar Areas
37.38
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 9795739
SID: 14750939
ChEMBL ID
CHEMBL596802
DrugBank ID
DB11947
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: PT01005, D(2) dopamine receptor
 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 = 7521 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
Ki = 17550 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 7500 nM
2 Ki = 17500 nM
Clinical Information about the Compound
Drug 1 ( Pridopidine )
Drug Name Pridopidine
Company Teva pharmaceutical
Indication
Huntington disease
Phase 3
Huntington disease
Phase 2/3
Target(s)
Dopamine D2 receptor (D2R)
 Target Info 
Modulator