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

CHEMBL18041

ZACOPRIDE
🧪 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)NC1CN2CCC1CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL18041
Name ZACOPRIDE
Phase Phase II
Structure Type MOL
InChI Key FEROPKNOYKURCJ-UHFFFAOYSA-N

Known Names

Zacoprida Zacopride
9
Targets
20
Activities
4
Assay Types
0
PK Parameters
20
Publications
2
Known Names

Molecular Properties

309.8
MW (Da)
1.75
ALogP
4
HBA
2
HBD
67.6
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Racemic
USAN Stem -pride
USAN Year 1986

Extended Properties

Molecular Formula C15H20ClN3O2
MW 309.80
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.66

Activity Summary

Ki 12 meas. best 9.41
Kd 4 meas. best 10.1
IC50 3 meas. best 8.66
EC50 1 meas. best 6.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serotonin 3 (5-HT3) receptor
CHEMBL2094132
 Kd 10.1 9.3 0.1 2
5-hydroxytryptamine receptor 3A
CHEMBL1899
 Ki 9.41 9.32 0.4 3
Serotonin 3 (5-HT3) receptor
CHEMBL2094116
 Ki 9.38 9.222 0.4 5
5-hydroxytryptamine receptor 3A
CHEMBL2411
 Kd 9.22 9.22 0.6 1
Serotonin 3 (5-HT3) receptor
CHEMBL2094116
 Kd 9.1 9.1 0.8 1
Serotonin 3 receptor (5HT3)
CHEMBL2111333
 Ki 8.88 8.88 1.3 1
Serotonin 3 (5-HT3) receptor
CHEMBL2094116
 IC50 8.66 8.66 2.2 1
5-hydroxytryptamine receptor 4
CHEMBL4317
 Ki 6.8 6.46 158.0 2
5-hydroxytryptamine receptor 4
CHEMBL5017
 EC50 6.58 6.58 260.0 1
Neuronal acetylcholine receptor subunit alpha-7
CHEMBL4980
 IC50 5.15 5.15 7040.0 2
5-hydroxytryptamine receptor 5A
CHEMBL3426
 Ki 4.8 4.8 16000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serotonin 3 (5-HT3) receptor Kd = 0.07943 nM 10.1 Antagonistic activity against Serotonin 5-hydroxytryptamine 3 receptor in isolat... -
5-hydroxytryptamine receptor 3A Ki = 0.39 nM 9.41 Displacement of [3H]GR65630 from 5-HT3 receptor (unknown origin) 24365159
5-hydroxytryptamine receptor 3A Ki = 0.3981 nM 9.4 Displacement of [3H]GR65630 from 5-HT3 receptor (unknown origin) 24365159
Serotonin 3 (5-HT3) receptor Ki = 0.42 nM 9.38 Inhibitory activity against 5-hydroxytryptamine 3 receptor in rat cortical membr... 2258903
Serotonin 3 (5-HT3) receptor Ki = 0.4169 nM 9.38 pKi value for inhibition of [3H]LY-278584 binding to 5-hydroxytryptamine 3 recep... 2258903
Serotonin 3 (5-HT3) receptor Ki = 0.42 nM 9.38 In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytrypta... -
5-hydroxytryptamine receptor 3A Kd = 0.6 nM 9.22 Compound was tested for its antagonistic activity against 5-hydroxytryptamine 3 ... -
Serotonin 3 (5-HT3) receptor Ki = 0.7 nM 9.15 Binding affinity against 5-hydroxytryptamine 3 receptor using [3H]BRL-43694 in r... -
5-hydroxytryptamine receptor 3A Ki = 0.7 nM 9.15 In vitro binding affinity for the 5-hydroxytryptamine 3 receptor was determined ... 2145434
Serotonin 3 (5-HT3) receptor Kd = 0.7943 nM 9.1 In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-indu... 1578478
Serotonin 3 receptor (5HT3) Ki = 1.32 nM 8.88 The binding affinity was measured for 5-hydroxytryptamine 3 receptor on NG 108-1... 2231600
Serotonin 3 (5-HT3) receptor Ki = 1.5 nM 8.82 Displacement of the 5-hydroxytryptamine 3 receptor ligand [3H]GR-65630 from rat ... 1312602
Serotonin 3 (5-HT3) receptor IC50 = 2.2 nM 8.66 Binding affinity was evaluated in vitro by displacement of [3H]zacopride radioli... -
Serotonin 3 (5-HT3) receptor Kd = 3.162 nM 8.5 Evaluated for the antagonistic activity against Serotonin 5-hydroxytryptamine 3 ... -
5-hydroxytryptamine receptor 4 Ki = 158.0 nM 6.8 Displacement of [3H]GR-113808 from rat striatum 5-hydroxytryptamine 4 receptor -
5-hydroxytryptamine receptor 4 EC50 = 260.0 nM 6.58 5-hydroxytryptamine 4 receptor agonist activity as increased response to electri... -
5-hydroxytryptamine receptor 4 Ki = 753.0 nM 6.12 Binding affinity against 5-hydroxytryptamine 4 receptor using [3H]GR-113808 as r... -
Neuronal acetylcholine receptor subunit alpha-7 IC50 = 7040.0 nM 5.15 Antagonist activity at rat alpha-7 nicotinic acetylcholine receptor expressed in... 26087938
Neuronal acetylcholine receptor subunit alpha-7 IC50 = 7079.46 nM 5.15 Antagonist activity at rat alpha-7 nicotinic acetylcholine receptor expressed in... 26087938
5-hydroxytryptamine receptor 5A Ki = 16000.0 nM 4.8 Binding affinity towards human 5-hydroxytryptamine 5A receptor 12825922

Literature References

PubMed DOI Target Context # Activities
26087938 10.1016/j.bmcl.2015.05.094 Neuronal acetylcholine receptor subunit alpha-7 5
- 10.1016/S0960-894X(01)80508-4 5-hydroxytryptamine receptor 4 4
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
2258903 10.1021/jm00174a013 Serotonin 3 (5-HT3) receptor 2
24365159 10.1016/j.bmcl.2013.12.024 5-hydroxytryptamine receptor 3A 2
- 10.1016/S0960-894X(00)80170-5 5-hydroxytryptamine receptor 4 2
- 10.1016/S0960-894X(00)80170-5 Serotonin 3 (5-HT3) receptor 2
- 10.1016/S0960-894X(01)81073-8 Serotonin 3 (5-HT3) receptor 1
19425598 10.1021/jm900018b Rattus norvegicus 1
- 10.1016/S0960-894X(96)00497-0 5-hydroxytryptamine receptor 3A 1
- 10.1016/S0960-894X(01)80508-4 Serotonin 3 (5-HT3) receptor 1
- 10.1016/S0960-894X(01)81073-8 Rattus norvegicus 1
12825922 10.1021/jm030030n 5-hydroxytryptamine receptor 5A 1
2231600 10.1021/jm00173a017 Serotonin 3 receptor (5HT3) 1
- 10.1016/0960-894X(96)00200-4 5-hydroxytryptamine receptor 4 1
- 10.1016/0960-894X(96)00200-4 Serotonin 3 (5-HT3) receptor 1
1548679 10.1021/jm00083a015 Serotonin 3 (5-HT3) receptor 1
2145434 10.1021/jm00172a007 Serotonin 3 (5-HT3) receptor 1
2145434 10.1021/jm00172a007 5-hydroxytryptamine receptor 3A 1
1312602 10.1021/jm00083a014 Serotonin 3 (5-HT3) receptor 1

Data from ChEMBL 36 via Core Engine