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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL60889
CHEMBL60889
Compound Name MOSAPRIDE
ChEMBL Synonyms MOSAPRIDE
Max Phase 3
Trade Names
Molecular Formula C21H25ClFN3O3

Additional synonyms for CHEMBL60889 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOc1cc(N)c(Cl)cc1C(=O)NCC2CN(Cc3ccc(F)cc3)CCO2
Standard InChI InChI=1S/C21H25ClFN3O3/c1-2-28-20-10-19(24)18(22)9-17(20)21( ...
Download InChI
Standard InChI Key YPELFRMCRYSPKZ-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL60889

Molecule Features

CHEMBL60889 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

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
ConstipationD003248HP:0002019constipation3ClinicalTrials
GastritisD005756EFO:0000217gastritis1ClinicalTrials
DiarrheaD003967HP:0002014diarrhea1ClinicalTrials
Irritable Bowel SyndromeD043183EFO:0000555irritable bowel syndrome3ClinicalTrials

Clinical Data

ClinicalTrials.gov MOSAPRIDE
The Cochrane Collaboration MOSAPRIDE

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 CHEMBL60889. 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
CHEMBL5017 Serotonin 4 (5-HT4) receptor Cavia porcellus 1.000
CHEMBL219 Dopamine D4 receptor Homo sapiens 1.000
CHEMBL4317 Serotonin 4 (5-HT4) receptor Rattus norvegicus 1.000
CHEMBL1875 Serotonin 4 (5-HT4) receptor Homo sapiens 1.000
CHEMBL339 Dopamine D2 receptor Rattus norvegicus 0.612
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.299



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5017 Serotonin 4 (5-HT4) receptor Cavia porcellus 1.000
CHEMBL219 Dopamine D4 receptor Homo sapiens 1.000
CHEMBL4317 Serotonin 4 (5-HT4) receptor Rattus norvegicus 1.000
CHEMBL1875 Serotonin 4 (5-HT4) receptor Homo sapiens 1.000
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.362

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
421.9 421.1568 3.09 7 76.82 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.52 6.15 2.94 2.92 2 29 0.67

Structural Alerts

There are 3 structural alerts for CHEMBL60889. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YPELFRMCRYSPKZ-UHFFFAOYSA-N
PubChem SID: 174006284 SID: 29216210 SID: 50110109
Wikipedia Mosapride

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL60889



ACToR 112885-41-3
BindingDB 94630
ChEBI 94373
ChemicalBook CB3273304
DrugBank DB11675
DrugCentral 1848
eMolecules 902153
EPA CompTox Dashboard DTXSID2048408
Guide to Pharmacology 242
IBM Patent System D82807337FA33C107C13C6C4F111B332
LINCS LSM-5042
Mcule MCULE-1051026269
MolPort MolPort-002-508-209
Nikkaji J245.710E
PubChem 119584
PubChem: Thomson Pharma 14856046
SureChEMBL SCHEMBL16417

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