Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL325109

CLEBOPRIDE
🧪 Phase II
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
🧪 Phase II
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL325109
Name CLEBOPRIDE
Phase Phase II
Structure Type MOL
InChI Key BVPWJMCABCPUQY-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Amicos Clanzoflat Clanzol Clast Cleboprida Clebopride Clebopride hydrogen malate Clebopride malate Cleprid LAS 9273 LAS-9273 Motilex
12
Targets
18
Activities
2
Assay Types
8
PK Parameters
20
Publications
12
Known Names
1
Indications
2
Mechanisms

Molecular Properties

373.9
MW (Da)
3.33
ALogP
4
HBA
2
HBD
67.6
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product
USAN Stem -pride
USAN Year 1987

Extended Properties

Molecular Formula C20H24ClN3O2
MW 373.88
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.39

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Serotonin 4 (5-HT4) receptor agonist AGONIST 5-hydroxytryptamine receptor 4 ✓ ✓
Dopamine D2 receptor antagonist ANTAGONIST D(2) dopamine receptor ✓ ✓

Indications

Digestive System Diseases

ATC Classification

A03FA06
clebopride
Level 1: ALIMENTARY TRACT AND METABOLISM
Level 2: DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS

Activity Summary

Ki 14 meas. best 8.95
IC50 4 meas. best 7.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D(2) dopamine receptor
CHEMBL339
 Ki 8.95 8.3625 1.1 4
D(4) dopamine receptor
CHEMBL219
 Ki 8.49 8.49 3.2 1
D(3) dopamine receptor
CHEMBL234
 Ki 7.98 7.375 10.4 2
D(2) dopamine receptor
CHEMBL217
 Ki 7.92 7.835 12.0 2
D(2) dopamine receptor
CHEMBL339
 IC50 7.77 7.77 17.0 1
Serotonin 2 (5-HT2) receptor
CHEMBL2093870
 Ki 7.05 7.05 89.0 1
5-hydroxytryptamine receptor 4
CHEMBL4317
 Ki 6.98 6.98 104.0 1
5-hydroxytryptamine receptor 4
CHEMBL5017
 Ki 6.98 6.98 104.0 1
Adrenergic receptor alpha-2
CHEMBL2093864
 Ki 6.22 6.22 600.0 1
Voltage-gated inwardly rectifying potassium channel KCNH2
CHEMBL240
 IC50 6.22 6.22 602.6 1
Acetylcholinesterase
CHEMBL220
 IC50 6.05 6.05 890.0 1
Unchecked
CHEMBL612545
 IC50 6.05 6.05 890.0 1
D(1A) dopamine receptor
CHEMBL2967
 Ki 5.22 5.22 6000.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL 50.4 mL.min-1.g-1 Homo sapiens
T1/2 0.08333 hr Homo sapiens
T1/2 1.0 hr Homo sapiens
T1/2 1.0 hr Homo sapiens
T1/2 1.0 hr Homo sapiens
T1/2 1.0 hr Homo sapiens
T1/2 1.0 hr Homo sapiens
T1/2 1.0 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
D(2) dopamine receptor Ki = 1.13 nM 8.95 Inhibition of [125I]- NCQ 298 binding to D2 receptor of rat striatal tissue 8246241
D(2) dopamine receptor Ki = 2.2 nM 8.66 Compound was evaluated for binding affinity towards DA D-2 receptor using radiol... 1535660
D(4) dopamine receptor Ki = 3.2 nM 8.49 Ability to displace [3H]spiperone [0.5 nM (Kd=0.1-0.45 nM)] from human recombina... 12951112
D(3) dopamine receptor Ki = 10.4 nM 7.98 In vitro binding affinity on D3 receptor is inhibition of binding of [125I]- NCQ... 8246241
D(2) dopamine receptor Ki = 11.9 nM 7.92 Binding affinity against Dopamine receptor D2 using [3H]spiperone as radioligand... -
D(2) dopamine receptor Ki = 12.0 nM 7.92 Displacement of [3H]-spiperone [0.5 nM (Kd=0.2-0.45 nM)] from human recombinant ... 12951112
D(2) dopamine receptor Ki = 11.9 nM 7.92 Affinity towards Dopamine receptor D2 in rat striatum using [3H]spiperone as rad... 12593651
D(2) dopamine receptor IC50 = 17.0 nM 7.77 Inhibitory concentration required for displacing radioligand [3H]SPI from DA D-2... 1535660
D(2) dopamine receptor Ki = 18.0 nM 7.75 Displacement of [3H]spiperone [0.5 nM (Kd=0.1 nM)] from human recombinant dopami... 12951112
Serotonin 2 (5-HT2) receptor Ki = 89.0 nM 7.05 In vitro binding affinity on 5-hydroxytryptamine 2 receptor is inhibition of bin... 8246241
5-hydroxytryptamine receptor 4 Ki = 104.0 nM 6.98 Binding affinity against 5-hydroxytryptamine 4 receptor using [3H]GR-113808 as r... -
5-hydroxytryptamine receptor 4 Ki = 104.0 nM 6.98 Inhibition of [3H]GR-113808 binding to guinea pig striatum 5-hydroxytryptamine 4... 12593651
D(3) dopamine receptor Ki = 170.0 nM 6.77 Displacement of [3H]spiperone [0.5 nM (Kd=0.1 nM)] from recombinant human dopami... 12951112
Voltage-gated inwardly rectifying potassium channel KCNH2 IC50 = 602.56 nM 6.22 Inhibition of human ERG 21185626
Adrenergic receptor alpha-2 Ki = 600.0 nM 6.22 In vitro binding affinity on alpha-2 receptor is inhibition of binding of [3H]- ... 8246241
Acetylcholinesterase IC50 = 890.0 nM 6.05 Inhibition of AChE 20053484
Unchecked IC50 = 890.0 nM 6.05 Inhibitory activity towards acetylcholine esterase (AChE) 15369385
D(1A) dopamine receptor Ki = 6000.0 nM 5.22 Displacement of [3H]SCH-23390 [0.3 nM (Kd=0.35 nM)] from dopamine receptor D1 in... 12951112

Literature References

PubMed DOI Target Context # Activities
6644744 10.1021/jm00366a017 Mus musculus 7
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2B 3
37468498 10.1038/s41467-023-40064-9 Gamma-aminobutyric acid receptor subunit alpha-1 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
37468498 10.1038/s41467-023-40064-9 Nuclear receptor subfamily 1 group I member 2 2
1535660 10.1021/jm00091a002 D(2) dopamine receptor 2
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 Androgen receptor 2
37468498 10.1038/s41467-023-40064-9 Progesterone receptor 2
12951112 10.1016/s0960-894x(03)00678-4 D(2) dopamine receptor 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2A 2
37468498 10.1038/s41467-023-40064-9 Alpha-2A adrenergic receptor 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M2 2
37468498 10.1038/s41467-023-40064-9 Cannabinoid receptor 1 2
18027916 10.1021/jm070524a No relevant target 2
38318365 10.1016/j.isci.2024.108907 Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 1
12951112 10.1016/s0960-894x(03)00678-4 D(4) dopamine receptor 1
- 10.1016/0960-894X(95)00115-A Serotonin 3 (5-HT3) receptor 1
8246241 10.1021/jm00075a028 D(3) dopamine receptor 1

Data from ChEMBL 36 via Core Engine