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Compound Detail

CHEMBL27846

(R)ZACOPRIDE
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COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CN2CCC1CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL27846
Name (R)ZACOPRIDE
Phase Preclinical
Structure Type MOL
InChI Key FEROPKNOYKURCJ-ZDUSSCGKSA-N
6
Targets
14
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
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
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

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

Activity Summary

Ki 12 meas. best 8.59
EC50 2 meas. best 6.78

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serotonin 3 (5-HT3) receptor
CHEMBL2094116
 Ki 8.59 8.4714 2.6 7
5-hydroxytryptamine receptor 3A
CHEMBL1899
 Ki 8.3 8.3 5.0 1
Serotonin 3 receptor (5HT3)
CHEMBL2111333
 Ki 8.02 8.02 9.5 1
5-hydroxytryptamine receptor 4
CHEMBL5017
 EC50 6.78 6.78 166.0 1
Serotonin 2 (5-HT2) receptor
CHEMBL2093870
 Ki 6.38 6.38 415.0 1
5-hydroxytryptamine receptor 4
CHEMBL4317
 EC50 6.3 6.3 501.2 1
5-hydroxytryptamine receptor 4
CHEMBL4317
 Ki 5.82 5.82 1510.0 1
5-hydroxytryptamine receptor 4
CHEMBL5017
 Ki 5.55 5.55 2818.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serotonin 3 (5-HT3) receptor Ki = 2.6 nM 8.59 Binding affinity to 5-hydroxytryptamine 3 receptor in rat entorhinal cortex usin... -
Serotonin 3 (5-HT3) receptor Ki = 2.6 nM 8.59 Binding affinity at 5-hydroxytryptamine 3 receptor in rat posterior cortex by [3... -
Serotonin 3 (5-HT3) receptor Ki = 2.6 nM 8.59 Binding affinity at 5-hydroxytryptamine 3 receptor in rat entorhinal cortex by [... -
Serotonin 3 (5-HT3) receptor Ki = 3.162 nM 8.5 Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cor... 8410977
Serotonin 3 (5-HT3) receptor Ki = 3.162 nM 8.5 Binding affinity to 5-hydroxytryptamine 3 receptor was determined in rat cerebro... -
Serotonin 3 (5-HT3) receptor Ki = 3.715 nM 8.43 Binding affinity for 5-hydroxytryptamine 3 receptor by displacement of racemic [... -
5-hydroxytryptamine receptor 3A Ki = 5.012 nM 8.3 Binding affinity for 5-hydroxytryptamine 3 receptor by displacement of [3H](R)-z... -
Serotonin 3 (5-HT3) receptor Ki = 8.0 nM 8.1 Inhibition of [3H]GR-65630 binding to 5-hydroxytryptamine 3 receptor 1573641
Serotonin 3 receptor (5HT3) Ki = 9.5 nM 8.02 Compound was evaluated for the binding affinity at 5- HT3 receptor 7608898
5-hydroxytryptamine receptor 4 EC50 = 166.0 nM 6.78 5-hydroxytryptamine 4 receptor agonist activity, concentration which gave 50% in... 9046352
Serotonin 2 (5-HT2) receptor Ki = 415.0 nM 6.38 The ability to inhibit [3H]ketanserin binding to 5-hydroxytryptamine 2 receptor ... 1573641
5-hydroxytryptamine receptor 4 EC50 = 501.19 nM 6.3 5-hydroxytryptamine 4 receptor agonist activity in the rat esophageal muscularis... -
5-hydroxytryptamine receptor 4 Ki = 1510.0 nM 5.82 Binding affinity towards 5-hydroxytryptamine 4 receptor was determined in rat st... 9046352
5-hydroxytryptamine receptor 4 Ki = 2818.38 nM 5.55 Binding affinity for 5-hydroxytryptamine 4 receptor by displacement of [3H]GR-11... -

Literature References

PubMed DOI Target Context # Activities
9046352 10.1021/jm960320m 5-hydroxytryptamine receptor 4 4
- 10.1016/S0960-894X(00)80352-2 Serotonin 3 (5-HT3) receptor 2
- 10.1016/S0960-894X(00)80352-2 5-hydroxytryptamine receptor 4 2
7608898 10.1021/jm00013a009 5-hydroxytryptamine receptor 4 2
7608898 10.1021/jm00013a009 Serotonin 3 receptor (5HT3) 2
7608898 10.1021/jm00013a009 5-hydroxytryptamine receptor 2A 1
1573641 10.1021/jm00086a019 Adrenergic receptor beta 1
1573641 10.1021/jm00086a019 Serotonin 3 (5-HT3) receptor 1
1573641 10.1021/jm00086a019 5-hydroxytryptamine receptor 4 1
- 10.1016/S0960-894X(00)80017-7 Serotonin 3 (5-HT3) receptor 1
- 10.1016/S0960-894X(00)80392-3 Rattus norvegicus 1
- 10.1016/S0960-894X(00)80392-3 Serotonin 3 (5-HT3) receptor 1
7608898 10.1021/jm00013a009 Alpha-1A adrenergic receptor 1
7608898 10.1021/jm00013a009 D(2) dopamine receptor 1
7608898 10.1021/jm00013a009 D(1A) dopamine receptor 1
- 10.1016/0960-894X(96)00052-2 Serotonin 3 (5-HT3) receptor 1
7608898 10.1021/jm00013a009 5-hydroxytryptamine receptor 1A 1
- 10.1016/S0960-894X(01)80269-9 Serotonin 3 (5-HT3) receptor 1
8410977 10.1021/jm00070a008 Serotonin 3 (5-HT3) receptor 1
- 10.1016/0960-894X(96)00052-2 5-hydroxytryptamine receptor 3A 1

Data from ChEMBL 36 via Core Engine