General Information of the Compound
Compound ID
CP0470567
Compound Name
CHEBI:3720
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Synonyms
Acenalin
(+-)-Cisapride
104860-73-3
4-amino-5-chloro-N-[1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide
4-amino-5-chloro-N-[1-{3-[(4-fluorophenyl)oxy]propyl}-3-(methyloxy)piperidin-4-yl]-2-(methyloxy)benzamide
4-amino-5-chloro-N-{1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl}-2-methoxybenzamide
81098-60-4
Acenalin
Acpulsif
Alimix
Alimix Forte
Alipride
Cipride
Cis-4-Amino-5-chloro-N-(1-(3-(p-fluorophenoxy)propyl)-3-methoxy-4-piperidyl)-o-anisamide
Cisaprida
Cisaprida [INN-Spanish]
Cisaprida [Spanish]
Cisapride
Cisapride (USAN/INN)
Cisapride [USAN:BAN:INN:JAN]
Cisapridum
Cisapridum [INN-Latin]
Cisapridum [Latin]
Cisapron
Cisawal
Colinorm
DCSUBABJRXZOMT-UHFFFAOYSA-N
DSSTox_CID_2825
Dispep
E-1454
Enteropride
Esorid
Guptro
Kaudalit
Kinestase
Prepulsid
Prepulsid (TN)
Presid
Pridesia
Propulsid
Propulsid (TN)
Propulsid Quicksolv
Propulsin
Pulsid
R 51619
R-51619
Rapulid
Risamal
Risamol
Syspride
T 1341
Unamol
Unipride
Vomiprid
Vomipride
cisapride
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Structure
Formula
C23H29ClFN3O4
Molecular Weight
465.953
Canonical SMILES
CO[C@H]1CN(CCCOc2ccc(F)cc2)CC[C@H]1NC(=O)c1cc(Cl)c(N)cc1OC
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InChI
InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)/t20-,22+/m1/s1
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InChIKey
DCSUBABJRXZOMT-IRLDBZIGSA-N
Physicochemical Property
logP
3.3581
Rotatable Bonds
9
Heavy Atom Count
32
Polar Areas
86.05
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
32

"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: 6917698
SID: 14784921
ChEMBL ID
CHEMBL560739
DrugBank ID
DB00604
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: PT00897, Potassium voltage-gated channel subfamily H member 2
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 = 12 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Cisapride )
Drug Name Cisapride
Company Janssen Pharmaceutica
Indication
Gastroesophageal reflux disease
Approved
Gastrointestinal disease
Investigative
Target(s)
5-HT 4 receptor (HTR4)
 Target Info 
Agonist