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Compound Detail

CHEMBL8946

ETICLOPRIDE
🧪 Phase II
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🧪 Phase II
CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2CCCN2CC)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL8946
Name ETICLOPRIDE
Phase Phase II
Structure Type MOL
InChI Key AADCDMQTJNYOSS-LBPRGKRZSA-N

Known Names

Eticloprida Eticlopride
6
Targets
20
Activities
3
Assay Types
0
PK Parameters
20
Publications
2
Known Names

Molecular Properties

340.9
MW (Da)
2.83
ALogP
4
HBA
2
HBD
61.8
PSA (Ų)
0.84
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Flags

Natural Product
USAN Stem -pride

Extended Properties

Molecular Formula C17H25ClN2O3
MW 340.85
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.71

Activity Summary

Ki 14 meas. best 10.85
IC50 4 meas. best 9.04
Kd 2 meas. best 9.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rattus norvegicus
CHEMBL376
 Ki 10.85 10.535 0.0 2
D(2) dopamine receptor
CHEMBL217
 Ki 10.07 9.8633 0.1 3
D(2) dopamine receptor
CHEMBL339
 Ki 10.05 9.6725 0.1 4
D(3) dopamine receptor
CHEMBL234
 Ki 9.97 9.9 0.1 4
D(2) dopamine receptor
CHEMBL339
 Kd 9.77 9.77 0.2 2
Dopamine receptor
CHEMBL2093868
 IC50 9.04 9.04 0.9 1
D(2) dopamine receptor
CHEMBL339
 IC50 9.04 9.04 0.9 3
D(4) dopamine receptor
CHEMBL219
 Ki 7.15 7.15 70.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Rattus norvegicus Ki = 0.014 nM 10.85 Inhibition constant on radiolabeled [125I]FIDA1 binding to rat striatal membrane... 8093734
Rattus norvegicus Ki = 0.06 nM 10.22 Inhibition constant on radiolabeled [125I]FIDA2 binding to rat striatal membrane... 8093734
D(2) dopamine receptor Ki = 0.086 nM 10.07 Displacement of [3H]N-methylspiperone from human dopamine D2 receptor expressed ... 24848155
D(2) dopamine receptor Ki = 0.09 nM 10.05 Compound was evaluated for the inhibition constant against dopamine receptor D2 ... 8093734
D(3) dopamine receptor Ki = 0.107 nM 9.97 Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293... 34636551
D(3) dopamine receptor Ki = 0.11 nM 9.96 Displacement of [3H]N-methylspiperone from human D3R expressed in HEK293 cell me... 27933960
D(2) dopamine receptor Ki = 0.117 nM 9.93 Displacement of [3H]N-methylspiperone from human D2L receptor expressed in HEK29... 34636551
D(2) dopamine receptor Ki = 0.12 nM 9.92 Inhibition of [3H]spiperone binding to rat striatal membrane Dopamine receptor D... 1969484
D(3) dopamine receptor Ki = 0.134 nM 9.87 Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed ... 24848155
D(3) dopamine receptor Ki = 0.16 nM 9.8 Compound was measured for its ability to compete with [125I]NCQ298 binding to th... 14521403
D(2) dopamine receptor Kd = 0.17 nM 9.77 Evaluated in vivo for the affinity towards Dopamine receptor D2 of rat striatal ... 2136916
D(2) dopamine receptor Kd = 0.17 nM 9.77 Affinity constant of compound was evaluated in rat striatum tissue preparation. 2966245
D(2) dopamine receptor Ki = 0.19 nM 9.72 Compound was evaluated for binding affinity towards dopamine receptor D2 in stri... 1827843
D(2) dopamine receptor Ki = 0.26 nM 9.59 Displacement of [3H]N-methylspiperone from human D2R expressed in HEK293 cell me... 27933960
Dopamine receptor IC50 = 0.92 nM 9.04 Antidopamine activity in vitro by ability to displace [3H]spiperone from rat bra... 3941414
D(2) dopamine receptor IC50 = 0.92 nM 9.04 Tested in vitro for inhibition of [3H]spiperone binding to dopamine receptor D2 7901417
D(2) dopamine receptor IC50 = 0.92 nM 9.04 Inhibition of [3H]spiperone binding to rat striatal dopamine receptor D2 was det... 1672158
D(2) dopamine receptor IC50 = 0.92 nM 9.04 In vitro ability to inhibit the binding of [3H]spiperone to dopamine receptor D2... 1969484
D(2) dopamine receptor Ki = 0.99 nM 9.0 Displacement of [3H]- spiperone from dopamine receptor D2 of striatal membranes ... 1827843
D(4) dopamine receptor Ki = 70.4 nM 7.15 Displacement of [3H]N-methylspiperone from human D4R expressed in HEK293 cell me... 27933960

Literature References

PubMed DOI Target Context # Activities
12723940 10.1021/jm030092d D(2) dopamine receptor 6
1969484 10.1021/jm00166a012 Rattus norvegicus 4
8423592 10.1021/jm00054a002 No relevant target 3
34636551 10.1021/acs.jmedchem.1c01353 D(2) dopamine receptor 3
3941414 10.1021/jm00151a010 Rattus norvegicus 3
34636551 10.1021/acs.jmedchem.1c01353 D(3) dopamine receptor 3
27933960 10.1021/acs.jmedchem.6b01373 D(2) dopamine receptor 2
1969484 10.1021/jm00166a012 D(2) dopamine receptor 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
8093734 10.1021/jm00054a005 Rattus norvegicus 2
1827843 10.1021/jm00109a013 D(2) dopamine receptor 2
8093734 10.1021/jm00054a005 D(2) dopamine receptor 1
29051383 10.1126/science.aan5468 Unchecked 1
1672158 10.1021/jm00107a012 D(2) dopamine receptor 1
7901417 10.1021/jm00074a023 D(2) dopamine receptor 1
2966245 10.1021/jm00400a027 D(2) dopamine receptor 1
18307287 10.1021/jm701375u D(4) dopamine receptor 1
14521403 10.1021/jm030085p D(3) dopamine receptor 1
24848155 10.1021/jm401798r D(3) dopamine receptor 1
3941414 10.1021/jm00151a010 Dopamine receptor 1

Data from ChEMBL 36 via Core Engine