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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1697828
CHEMBL1697828
Compound Name CARBROMAL
ChEMBL Synonyms ADALIN | CARBROMAL | BROMODIETHYLACETYLUREA
Max Phase 0
Trade Names
Molecular Formula C7H13BrN2O2

Additional synonyms for CHEMBL1697828 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC(Br)(CC)C(=O)NC(=O)N
Standard InChI InChI=1S/C7H13BrN2O2/c1-3-7(8,4-2)5(11)10-6(9)12/h3-4H2,1-2H ...
Download InChI
Standard InChI Key OPNPQXLQERQBBV-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL1697828

Molecule Features

CHEMBL1697828 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

Clinical Data

ClinicalTrials.gov CARBROMAL
The Cochrane Collaboration CARBROMAL

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 CHEMBL1697828. 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
CHEMBL1741195 Enteropeptidase Homo sapiens 0.791
CHEMBL3286 Urokinase-type plasminogen activator Homo sapiens 0.205

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1741195 Enteropeptidase Homo sapiens 0.621
CHEMBL4462 NAD-dependent deacetylase sirtuin 2 Homo sapiens 0.438

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
237.1 236.016 1.47 3 72.19 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.69 - 1.62 1.62 0 12 0.73

Structural Alerts

There are 7 structural alerts for CHEMBL1697828. To view alerts please click here.

Compound Cross References

ATC N - NERVOUS SYSTEM
N05 - PSYCHOLEPTICS
N05C - HYPNOTICS AND SEDATIVES
N05CM - Other hypnotics and sedatives
N05CM04 - carbromal

ChemSpider ChemSpider:OPNPQXLQERQBBV-UHFFFAOYSA-N
PubChem SID: 144212564
Wikipedia Carbromal

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1697828



ACToR 77-65-6
ChEBI 134961
DrugCentral 504
eMolecules 975040
EPA CompTox Dashboard DTXSID8020252
FDA SRS 0Y299JY9V3
IBM Patent System 33FFCD3E34EC77DD095800D862A897EF
Nikkaji J4.210B
PubChem 6488
PubChem: Thomson Pharma 15415720
SureChEMBL SCHEMBL261
ZINC ZINC000000001093

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