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Compound Detail

CHEMBL117287

PRUCALOPRIDE
💊 Approved Drug
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💊 Approved Drug
COCCCN1CCC(NC(=O)c2cc(Cl)c(N)c3c2OCC3)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL117287
Name PRUCALOPRIDE
Phase Approved
Structure Type MOL
InChI Key ZPMNHBXQOOVQJL-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Prucaloprida Prucalopride R-093877 R093877 Resolor
3
Targets
10
Activities
2
Assay Types
4
PK Parameters
20
Publications
5
Known Names
8
Indications
1
Mechanisms

Molecular Properties

367.9
MW (Da)
2.09
ALogP
5
HBA
2
HBD
76.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2009
Availability Prescription
Chirality Achiral

Routes of Administration

Oral

Flags

Natural Product
USAN Stem -pride
USAN Year 2011

Extended Properties

Molecular Formula C18H26ClN3O3
MW 367.88
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -1.22

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Serotonin 4 (5-HT4) receptor agonist AGONIST 5-hydroxytryptamine receptor 4 ✓ ✓

Indications

Constipation Intestinal Pseudo-Obstruction Deglutition Disorders Ileus Irritable Bowel Syndrome Dyspepsia Liver Diseases Depressive Disorder

ATC Classification

A06AX05
prucalopride
Level 1: ALIMENTARY TRACT AND METABOLISM
Level 2: DRUGS FOR CONSTIPATION

Activity Summary

EC50 5 meas. best 8.28
Ki 5 meas. best 8.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 4
CHEMBL1875
 Ki 8.6 7.76 2.5 4
5-hydroxytryptamine receptor 4
CHEMBL1875
 EC50 8.28 8.0467 5.2 3
5-hydroxytryptamine receptor 4
CHEMBL4317
 EC50 7.58 7.58 26.0 2
5-hydroxytryptamine receptor 3A
CHEMBL1899
 Ki 5.4 5.4 3981.1 1

Pharmacokinetic Data

Parameter Value Units Species
AUC 828.0 ng.hr.mL-1 Rattus norvegicus
CL 113.0 mL.min-1.kg-1 Rattus norvegicus
Cmax 774.71 nM Rattus norvegicus
F 84.0 % Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
5-hydroxytryptamine receptor 4 Ki = 2.512 nM 8.6 Binding affinity at 5HT4 receptor 19261477
5-hydroxytryptamine receptor 4 EC50 = 5.2 nM 8.28 Agonist activity at human 5HT4e receptor expressed in CHO cells assessed as cAMP... 26363507
5-hydroxytryptamine receptor 4 EC50 = 5.2 nM 8.28 Agonist activity at recombinant human 5-HT4E receptor expressed in CHO cells ass... 29763304
5-hydroxytryptamine receptor 4 Ki = 7.5 nM 8.12 Tested for agonist activity against 5-hydroxytryptamine 4 receptor 12540230
5-hydroxytryptamine receptor 4 EC50 = 26.0 nM 7.58 Agonist activity at rat 5HT4e receptor expressed in HEK293 cells assessed as cAM... 26363507
5-hydroxytryptamine receptor 4 EC50 = 26.0 nM 7.58 Agonist activity at 5-HT4E receptor (unknown origin) 29763304
5-hydroxytryptamine receptor 4 EC50 = 26.0 nM 7.58 Partial agonist activity at rat 5HT4E receptor expressed in HEK293 cells assesse... 34251799
5-hydroxytryptamine receptor 4 Ki = 44.1 nM 7.36 Competition Assay: Prior to these competition studies, a series of saturation cu... -
5-hydroxytryptamine receptor 4 Ki = 110.0 nM 6.96 Tested for selectivity for 5-hydroxytryptamine 4 receptor 12540230
5-hydroxytryptamine receptor 3A Ki = 3981.07 nM 5.4 Binding affinity at 5HT3 receptor 19261477

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL5724801 U2OS 304
- 10.6019/CHEMBL5058577 HEK-293T 304
- 10.6019/CHEMBL5058577 U2OS 304
- 10.6019/CHEMBL5058577 Fibroblast 304
- 10.6019/CHEMBL5724801 Fibroblast 304
- 10.6019/CHEMBL5724801 HEK-293T 304
15646539 10.1016/s0399-8320(04)95062-2 Unchecked 11
15646539 10.1016/s0399-8320(04)95062-2 NON-PROTEIN TARGET 8
- 10.6019/CHEMBL5058564 U2OS 6
- 10.6019/CHEMBL5058564 Fibroblast 6
- 10.6019/CHEMBL5209801 Beta-2 adrenergic receptor 5
- 10.6019/CHEMBL5209801 Alpha-2A adrenergic receptor 5
- 10.6019/CHEMBL5209801 Adhesion G-protein coupled receptor F1 5
- 10.6019/CHEMBL5209801 Glucagon-like peptide 1 receptor 5
- 10.6019/CHEMBL5209801 Apelin receptor 5
- 10.6019/CHEMBL5209801 Type-1 angiotensin II receptor 5
- 10.6019/CHEMBL5209801 C5a anaphylatoxin chemotactic receptor 1 5
- 10.6019/CHEMBL5209801 Glucose-dependent insulinotropic receptor 5
- 10.6019/CHEMBL5209801 Free fatty acid receptor 4 5
- 10.6019/CHEMBL5209801 N-formyl peptide receptor 2 5

Data from ChEMBL 36 via Core Engine