General Information of the Compound
Compound ID
CP0053618
Compound Name
4-Amino-N-(1-benzyl-piperidin-4-yl)-5-chloro-2-methoxy-benzamide
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Synonyms
4-Amino-5-chloro-2-methoxy-N-(1-benzyl-4-piperidyl)benzamide
4-Amino-N-(1-benzyl-4-piperidyl)-5-chloro-o-anisamide
4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide
55905-53-8
BENZAMIDE, 4-AMINO-5-CHLORO-2-METHOXY-N-(1-(PHENYLMETHYL)-4
BRN 0493934
C20H24ClN3O2
CHEMBL325109
CLEBOPRIDE
Cleboprida
Cleboprida [INN-Spanish]
Clebopride
Clebopridum
Clebopridum [INN-Latin]
Cleboril
EINECS 259-885-9
I0A84520Y9
LAS 9273
N-(1'-Benzyl-4'-piperidyl)-2-methoxy-4-amino-5-chlorobenzamide
UNII-I0A84520Y9
clebopride malate
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Structure
Formula
C20H24ClN3O2
Molecular Weight
373.884
Canonical SMILES
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1
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InChI
InChI=1S/C20H24ClN3O2/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25)
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InChIKey
BVPWJMCABCPUQY-UHFFFAOYSA-N
CAS
55905-53-8
Physicochemical Property
logP
3.3252
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
67.59
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 2780
SID: 15251961
ChEMBL ID
CHEMBL325109
DrugBank ID
DB13511
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
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
Ki = 12 nM
   TI
   LI
   LO
   TS
2
Ki = 18 nM
   TI
   LI
   LO
   TS
Protein ID: PT00943, D(3) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 10.4 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 170 nM
   TI
   LI
   LO
   TS
Protein ID: PT01161, D(4) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 3.2 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( CLEBOPRIDE )
Drug Name CLEBOPRIDE
Target(s)
Dopamine D2 receptor (D2R)
Inhibitor
Acetylcholinesterase (AChE)
Inhibitor