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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL153192
CHEMBL153192
Compound Name BROMOCHLOROSALICYLANILIDE
ChEMBL Synonyms BROMOCHLOROSALICYLANILIDE
Max Phase 0
Trade Names
Molecular Formula C13H9BrClNO2

Additional synonyms for CHEMBL153192 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1ccc(Br)cc1C(=O)Nc2ccc(Cl)cc2
Standard InChI InChI=1S/C13H9BrClNO2/c14-8-1-6-12(17)11(7-8)13(18)16-10-4-2 ...
Download InChI
Standard InChI Key QBSGXIBYUQJHMJ-UHFFFAOYSA-N

Sources

  • Scientific Literature
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL153192

Molecule Features

CHEMBL153192 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 BROMOCHLOROSALICYLANILIDE
The Cochrane Collaboration BROMOCHLOROSALICYLANILIDE

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 CHEMBL153192. 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
CHEMBL2189162 Pyruvate kinase Staphylococcus aureus (strain MRSA252) 1.000
CHEMBL1293224 Microtubule-associated protein tau Homo sapiens 0.998
CHEMBL1947 Thyroid hormone receptor beta-1 Homo sapiens 0.997
CHEMBL2039 Monoamine oxidase B Homo sapiens 0.979
CHEMBL279 Vascular endothelial growth factor receptor 2 Homo sapiens 0.958
CHEMBL1951 Monoamine oxidase A Homo sapiens 0.922
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.919
CHEMBL3242 Carbonic anhydrase XII Homo sapiens 0.858
CHEMBL1985 Glucagon receptor Homo sapiens 0.784
CHEMBL5567 Luciferin 4-monooxygenase Photinus pyralis 0.657
CHEMBL244 Coagulation factor X Homo sapiens 0.646
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.642
CHEMBL4096 Cellular tumor antigen p53 Homo sapiens 0.617
CHEMBL3594 Carbonic anhydrase IX Homo sapiens 0.593
CHEMBL2392 DNA polymerase beta Homo sapiens 0.521
CHEMBL261 Carbonic anhydrase I Homo sapiens 0.460
CHEMBL5658 Prostaglandin E synthase Homo sapiens 0.440
CHEMBL4772 1-acylglycerol-3-phosphate O-acyltransferase beta Homo sapiens 0.430
CHEMBL6110 Thioredoxin glutathione reductase Schistosoma mansoni 0.421
CHEMBL203 Epidermal growth factor receptor erbB1 Homo sapiens 0.351



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2189162 Pyruvate kinase Staphylococcus aureus (strain MRSA252) 1.000
CHEMBL1293277 Niemann-Pick C1 protein Homo sapiens 1.000
CHEMBL1293224 Microtubule-associated protein tau Homo sapiens 0.998
CHEMBL3687 Arachidonate 12-lipoxygenase Homo sapiens 0.996
CHEMBL1293316 Relaxin receptor 1 Homo sapiens 0.990
CHEMBL4374 Photoreceptor-specific nuclear receptor Homo sapiens 0.985
CHEMBL3864 Protein-tyrosine phosphatase 2C Homo sapiens 0.984
CHEMBL5567 Luciferin 4-monooxygenase Photinus pyralis 0.975
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.971
CHEMBL203 Epidermal growth factor receptor erbB1 Homo sapiens 0.925
CHEMBL1947 Thyroid hormone receptor beta-1 Homo sapiens 0.919
CHEMBL2635 Dual specificity protein phosphatase 3 Homo sapiens 0.918
CHEMBL2039 Monoamine oxidase B Homo sapiens 0.909
CHEMBL1795119 Chitinase Onchocerca volvulus 0.884
CHEMBL2392 DNA polymerase beta Homo sapiens 0.857
CHEMBL4361 Induced myeloid leukemia cell differentiation protein Mcl-1 Homo sapiens 0.841
CHEMBL5658 Prostaglandin E synthase Homo sapiens 0.807
CHEMBL279 Vascular endothelial growth factor receptor 2 Homo sapiens 0.776
CHEMBL2219 Protein-tyrosine phosphatase LC-PTP Homo sapiens 0.765
CHEMBL4096 Cellular tumor antigen p53 Homo sapiens 0.757

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
326.6 324.9505 4.06 2 49.33 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.57 - 4.38 4.08 2 18 0.87

Structural Alerts

There are 2 structural alerts for CHEMBL153192. To view alerts please click here.

Compound Cross References

ATC D - DERMATOLOGICALS
D01 - ANTIFUNGALS FOR DERMATOLOGICAL USE
D01A - ANTIFUNGALS FOR TOPICAL USE
D01AE - Other antifungals for topical use
D01AE01 - bromochlorosalicylanilide

ChemSpider ChemSpider:QBSGXIBYUQJHMJ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL153192



ACToR 3679-64-9
ChEBI 135394
DrugCentral 3040
eMolecules 1072239
EPA CompTox Dashboard DTXSID80190256
FDA SRS 6GK715PWMQ
IBM Patent System 675C48885B4CFCDF1541314CAA187772
Mcule MCULE-9730328700
MolPort MolPort-001-822-932
Nikkaji J8.199J
NMRShiftDB 20200309
PubChem 77254
PubChem: Thomson Pharma 14924156
SureChEMBL SCHEMBL152257
ZINC ZINC000000001178

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