CLEBOPRIDE

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Synonyms
Status
Molecule Category UNKNOWN
ATC A03FA06
UNII I0A84520Y9
EPA CompTox DTXSID7022831

Structure

InChI Key BVPWJMCABCPUQY-UHFFFAOYSA-N
Smiles COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1
InChI
InChI=1S/C20H24ClN3O2/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25)

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H24ClN3O2
Molecular Weight 373.88
AlogP 3.33
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 67.59
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 26.0

Bioactivity

Mechanism of Action Action Reference
Dopamine D2 receptor antagonist ANTAGONIST PubMed PubMed PubMed PubMed
Protein: Dopamine D2 receptor
Description: D(2) dopamine receptor
Organism : Homo sapiens
P14416 ENSG00000149295
Protein: Serotonin 4 (5-HT4) receptor
Description: 5-hydroxytryptamine receptor 4
Organism : Homo sapiens
Q13639 ENSG00000164270
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 890 - - -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 603 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- - - 600 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- 17 - 1-12 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - - 104 -
Assay Description Organism Bioactivity Reference
In vitro binding affinity on 5-hydroxytryptamine 2 receptor is inhibition of binding of [125I]- I-LSD to P11 cells None 89.0 nM
Inhibition of [3H]GR-113808 binding to guinea pig striatum 5-hydroxytryptamine 4 receptor Cavia porcellus 104.0 nM
Binding affinity against 5-hydroxytryptamine 4 receptor using [3H]GR-113808 as radioligand in rat striatum None 104.0 nM
Displacement of [3H]spiperone [0.5 nM (Kd=0.1 nM)] from human recombinant dopamine receptor D2L expressed in CHO cells None 18.0 nM
Displacement of [3H]-spiperone [0.5 nM (Kd=0.2-0.45 nM)] from human recombinant dopamine receptor D2S expressed in CHO cells at 0.5 nM concentration None 12.0 nM
In vitro binding affinity on D3 receptor is inhibition of binding of [125I]- NCQ 298 to Sf9 cells infected with recombinant baculovirus Spodoptera frugiperda 10.4 nM
Inhibitory concentration required for displacing radioligand [3H]SPI from DA D-2 receptor None 17.0 nM
Affinity towards Dopamine receptor D2 in rat striatum using [3H]spiperone as radioligand Rattus norvegicus 11.9 nM
Displacement of [3H]spiperone [0.5 nM (Kd=0.1 nM)] from recombinant human dopamine receptor D3 expressed in CHO cells at 0.5 nM concentration None 170.0 nM
Binding affinity against Dopamine receptor D2 using [3H]spiperone as radioligand in rat striatum None 11.9 nM
Compound was evaluated for binding affinity towards DA D-2 receptor using radioligand [3H]SPI None 2.2 nM
Inhibition of [125I]- NCQ 298 binding to D2 receptor of rat striatal tissue Rattus norvegicus 1.13 nM
Ability to displace [3H]spiperone [0.5 nM (Kd=0.1-0.45 nM)] from human recombinant dopamine receptor D4 expressed in CHO cells None 3.2 nM
In vitro binding affinity on alpha-2 receptor is inhibition of binding of [3H]- rauwolscine to rat cortex None 600.0 nM
Inhibitory activity towards acetylcholine esterase (AChE) Torpedo californica 890.0 nM
Inhibition of AChE None 890.0 nM
Inhibition of human ERG Homo sapiens 602.56 nM

Related Entries

Cross References

Resources Reference
ChEBI 92309
ChEMBL CHEMBL325109
DrugBank DB13511
DrugCentral 670
FDA SRS I0A84520Y9
PubChem 2780
SureChEMBL SCHEMBL25710
ZINC ZINC000000608261
CONTENTS