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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL399510
CHEMBL399510
Compound Name BROMOPRIDE
ChEMBL Synonyms BROMOPRIDE
Max Phase 3
Trade Names
Molecular Formula C14H22BrN3O2

Additional synonyms for CHEMBL399510 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC
Standard InChI InChI=1S/C14H22BrN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12 ...
Download InChI
Standard InChI Key GIYAQDDTCWHPPL-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL399510

Molecule Features

CHEMBL399510 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule 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
Digestive System DiseasesD004066EFO:0000405digestive system disease3ATC

Clinical Data

ClinicalTrials.gov BROMOPRIDE
The Cochrane Collaboration BROMOPRIDE

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 CHEMBL399510. 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
CHEMBL3959 Quinone reductase 2 Homo sapiens 0.999
CHEMBL3138 Dopamine D3 receptor Rattus norvegicus 0.987
CHEMBL3729 Carbonic anhydrase IV Homo sapiens 0.982
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.908
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.330
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.275
CHEMBL5514 Huntingtin Homo sapiens 0.261
CHEMBL1287622 Lethal(3)malignant brain tumor-like protein 1 Homo sapiens 0.221
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 0.217



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4317 Serotonin 4 (5-HT4) receptor Rattus norvegicus 1.000
CHEMBL1875 Serotonin 4 (5-HT4) receptor Homo sapiens 1.000
CHEMBL5017 Serotonin 4 (5-HT4) receptor Cavia porcellus 1.000
CHEMBL3959 Quinone reductase 2 Homo sapiens 0.996
CHEMBL3138 Dopamine D3 receptor Rattus norvegicus 0.950
CHEMBL3729 Carbonic anhydrase IV Homo sapiens 0.757
CHEMBL2366 Trypsin Sus scrofa 0.551
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.309

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
344.3 343.0895 2.11 7 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
13.84 9.08 2.54 .67 1 20 0.74

Structural Alerts

There are 6 structural alerts for CHEMBL399510. To view alerts please click here.

Compound Cross References

ATC A - ALIMENTARY TRACT AND METABOLISM
A03 - DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
A03F - PROPULSIVES
A03FA - Propulsives
A03FA04 - bromopride

ChemSpider ChemSpider:GIYAQDDTCWHPPL-UHFFFAOYSA-N
PubChem SID: 104171315 SID: 11112553 SID: 144204094 SID: 170466299 SID: 56463076
Wikipedia Bromopride

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL399510



ACToR 3963-95-9
ChEBI 95304
DrugBank DB09018
DrugCentral 406
eMolecules 535142
EPA CompTox Dashboard DTXSID0045383
FDA SRS 75473V2YZK
IBM Patent System 3677F05C470842EA67C45BC6D7DD8060
LINCS LSM-6656
MolPort MolPort-003-666-447
Nikkaji J8.679G
PubChem 2446
PubChem: Thomson Pharma 14952417
SureChEMBL SCHEMBL54497
ZINC ZINC000002038104

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