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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 Carbromal | Bromodiethylacetylurea | Adalin
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

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

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

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

Alternate Forms of Compound in ChEMBL


CHEMBL1697828

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
CHEMBL3286 Urokinase-type plasminogen activator Homo sapiens 0.259

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4462 NAD-dependent deacetylase sirtuin 2 Homo sapiens 0.494
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.243

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

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
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 ZINC00001093

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