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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL18041
CHEMBL18041
Compound Name ZACOPRIDE
ChEMBL Synonyms ZACOPRIDE | AHR-11190-B | ZACOPRIDE HYDROCHLORIDE
Max Phase 0
Trade Names
Molecular Formula C15H20ClN3O2

Additional synonyms for CHEMBL18041 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(N)c(Cl)cc1C(=O)NC2CN3CCC2CC3
Standard InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)1 ...
Download InChI
Standard InChI Key FEROPKNOYKURCJ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL18041

Molecule Features

CHEMBL18041 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov ZACOPRIDE
The Cochrane Collaboration ZACOPRIDE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL18041. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL4317 Serotonin 4 (5-HT4) receptor Rattus norvegicus 1.000
CHEMBL5017 Serotonin 4 (5-HT4) receptor Cavia porcellus 1.000
CHEMBL1875 Serotonin 4 (5-HT4) receptor Homo sapiens 1.000
CHEMBL1899 Serotonin 3a (5-HT3a) receptor Homo sapiens 1.000
CHEMBL2411 Serotonin 3a (5-HT3a) receptor Rattus norvegicus 1.000
CHEMBL2492 Neuronal acetylcholine receptor protein alpha-7 subunit Homo sapiens 1.000
CHEMBL4980 Neuronal acetylcholine receptor protein alpha-7 subunit Rattus norvegicus 0.950



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4317 Serotonin 4 (5-HT4) receptor Rattus norvegicus 1.000
CHEMBL5017 Serotonin 4 (5-HT4) receptor Cavia porcellus 1.000
CHEMBL1875 Serotonin 4 (5-HT4) receptor Homo sapiens 1.000
CHEMBL1899 Serotonin 3a (5-HT3a) receptor Homo sapiens 1.000
CHEMBL2411 Serotonin 3a (5-HT3a) receptor Rattus norvegicus 1.000
CHEMBL2492 Neuronal acetylcholine receptor protein alpha-7 subunit Homo sapiens 1.000
CHEMBL4980 Neuronal acetylcholine receptor protein alpha-7 subunit Rattus norvegicus 0.999
CHEMBL2967 Dopamine D1 receptor Bos taurus 0.981

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
309.8 309.1244 1.75 3 67.59 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 5 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.56 9.53 1.7 -.33 1 21 0.83

Structural Alerts

There are 3 structural alerts for CHEMBL18041. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FEROPKNOYKURCJ-UHFFFAOYSA-N
Wikipedia Zacopride

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL18041



ACToR 90182-92-6
BindingDB 50000492
ChEBI 91810
EPA CompTox Dashboard DTXSID1048251
Guide to Pharmacology 245
IBM Patent System DB1E9E7FBB28CB3A8EA539DCD203FABC
LINCS LSM-1715
Nikkaji J22.809E
PubChem 108182
PubChem: Thomson Pharma 14923325 14849993
SureChEMBL SCHEMBL16003

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/FEROPKNOYKURCJ-UHFFFAOYSA-N spacer
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