General Information of the Compound
Compound ID
CP0045672
Compound Name
1-(1-(benzo[b]thiophen-2-yl)cyclohexyl)piperidine
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Synonyms
1-(1-(2-benzo(b)thienyl)cyclohexyl)piperidine
1-(1-(benzo[b]thiophen-2-yl)cyclohexyl)piperidine
1-(1-Benzo(b)thien-2-ylcyclohexyl)piperidine
1-(1-benzo[b]thien-2-ylcyclohexyl)Piperidine
1-Btcp
1-[1-(1-benzothiophen-2-yl)cyclohexyl]piperidine
112726-66-6
AC1L3X4G
BTCP
Benocyclidine
Biomol-NT_000007
C19H25NS
CHEBI:64145
CHEMBL279556
GK 13
GK-13
Lopac-B-138
Lopac0_000226
N-(1-(2-Benzo(b)thiophenyl)cyclohexyl)piperidine
Piperidine, 1-(1-benzo(b)thien-2-ylcyclohexyl)-
Q1WR6UP7MW
Tocris-0702
UNII-Q1WR6UP7MW
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Structure
Formula
C19H25NS
Molecular Weight
299.483
Canonical SMILES
C1CCN(CC1)C1(CCCCC1)c1cc2ccccc2s1
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InChI
InChI=1S/C19H25NS/c1-5-11-19(12-6-1,20-13-7-2-8-14-20)18-15-16-9-3-4-10-17(16)21-18/h3-4,9-10,15H,1-2,5-8,11-14H2
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InChIKey
RGSVXQJPSWZXOP-UHFFFAOYSA-N
CAS
112726-66-6
120093-01-8
Physicochemical Property
logP
5.5466
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
3.24
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
21

"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: 123692
SID: 15370210
ChEMBL ID
CHEMBL279556
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: PT00884, Sodium-dependent dopamine transporter
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  3
1
IC50 = 2.8 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
IC50 = 12 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
3
Ki = 6.2 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 2.6 nM
2 IC50 = 5.1 nM
3 IC50 = 12 nM
4 IC50 = 17 nM
5 Ki = 2.2 nM
6 Ki = 2.7 nM
7 Ki = 8.9 nM
Clinical Information about the Compound
Drug 1 ( 1-(1-(benzo[b]thiophen-2-yl)cyclohexyl)piperidine )
Drug Name 1-(1-(benzo[b]thiophen-2-yl)cyclohexyl)piperidine
Target(s)
Dopamine transporter (DAT)
 Target Info 
Inhibitor