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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL277062
CHEMBL277062
Compound Name BROMAZEPAM
ChEMBL Synonyms RO 5-3350 | LEXOTAN | BROMAZEPAM | LECTOPAM
Max Phase 4 (Approved)
Trade Names LECTOPAM | LEXOTAN
Molecular Formula C14H10BrN3O

Additional synonyms for CHEMBL277062 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Brc1ccc2NC(=O)CN=C(c3ccccn3)c2c1
Standard InChI InChI=1S/C14H10BrN3O/c15-9-4-5-11-10(7-9)14(17-8-13(19)18-11 ...
Download InChI
Standard InChI Key VMIYHDSEFNYJSL-UHFFFAOYSA-N

Sources

  • British National Formulary
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL277062

Molecule Features

CHEMBL277062 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Unknown

Mechanism of Action

Mechanism of Action ChEMBL Target References
GABA receptor alpha-2 subunit positive allosteric modulator GABA receptor alpha-2 subunit PubMed PubMed PubMed PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
AnxietyD001007EFO:0005230anxiety4ATC
ClinicalTrials
DementiaD003704HP:0000726dementia3ClinicalTrials
Depressive DisorderD003866EFO:0003761unipolar depression3ClinicalTrials
SchizophreniaD012559EFO:0000692schizophrenia3ClinicalTrials

Clinical Data

ClinicalTrials.gov BROMAZEPAM
The Cochrane Collaboration BROMAZEPAM

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 CHEMBL277062. 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
CHEMBL262 Glycogen synthase kinase-3 beta Homo sapiens 0.894

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL262 Glycogen synthase kinase-3 beta Homo sapiens 0.936
CHEMBL3880 Heat shock protein HSP 90-alpha Homo sapiens 0.257

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
316.2 315.0007 2.63 1 54.35 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.39 2 2.28 2.28 2 19 0.88

Structural Alerts

There are 2 structural alerts for CHEMBL277062. To view alerts please click here.

Compound Cross References

ATC N - NERVOUS SYSTEM
N05 - PSYCHOLEPTICS
N05B - ANXIOLYTICS
N05BA - Benzodiazepine derivatives
N05BA08 - bromazepam

ChemSpider ChemSpider:VMIYHDSEFNYJSL-UHFFFAOYSA-N
Wikipedia Bromazepam

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL277062



ACToR 1812-30-2
Brenda 55882
ChEBI 31302
DrugBank DB01558
DrugCentral 399
eMolecules 535125
EPA CompTox Dashboard DTXSID40171081
FDA SRS X015L14V0O
Human Metabolome Database HMDB0015511
IBM Patent System 7107E514C808189D08B9C648EC355455
Nikkaji J3.680C
PharmGKB PA10035
PubChem 2441
PubChem: Thomson Pharma 14874497
SureChEMBL SCHEMBL43933
ZINC ZINC000000001051

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