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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL568
CHEMBL568
Compound Name OXAZEPAM
ChEMBL Synonyms OXAZEPAM | SERENID FTE | LEDERPAM | ZAXOPAM | OXOZEPAM | WY-3498 | SERAX
Max Phase 4 (Approved)
Trade Names OXAZEPAM | SERENID FTE | SERAX | ZAXOPAM | LEDERPAM
Molecular Formula C15H11ClN2O2

Additional synonyms for CHEMBL568 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC1N=C(c2ccccc2)c3cc(Cl)ccc3NC1=O
Standard InChI InChI=1S/C15H11ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9 ...
Download InChI
Standard InChI Key ADIMAYPTOBDMTL-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL568

Molecule Features

CHEMBL568 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
GABA-A receptor; anion channel positive allosteric modulator GABA-A receptor; anion channel PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
HIV InfectionsD015658EFO:0000764HIV infection1ClinicalTrials
Cocaine-Related DisordersD019970EFO:0002610cocaine dependence1ClinicalTrials
SchizophreniaD012559EFO:0000692schizophrenia3ClinicalTrials
AnxietyD001007EFO:0005230anxiety4ATC
ClinicalTrials
DementiaD003704HP:0000726dementia3ClinicalTrials
Depressive DisorderD003866EFO:0003761unipolar depression3ClinicalTrials
Tobacco Use DisorderD014029EFO:0003768nicotine dependence1ClinicalTrials

Clinical Data

ClinicalTrials.gov OXAZEPAM
The Cochrane Collaboration OXAZEPAM

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 CHEMBL568. 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
CHEMBL2871 Cholecystokinin A receptor Rattus norvegicus 0.920
CHEMBL298 Cholecystokinin B receptor Homo sapiens 0.756
CHEMBL3407319 Neurogenic locus notch homolog protein 3 Homo sapiens 0.640
CHEMBL2146346 Neurogenic locus notch homolog protein 1 Homo sapiens 0.236
CHEMBL2820 Coagulation factor XI Homo sapiens 0.220
CHEMBL3622 Cytochrome P450 2C19 Homo sapiens 0.213



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL298 Cholecystokinin B receptor Homo sapiens 0.999
CHEMBL2871 Cholecystokinin A receptor Rattus norvegicus 0.996
CHEMBL2146346 Neurogenic locus notch homolog protein 1 Homo sapiens 0.622
CHEMBL3407319 Neurogenic locus notch homolog protein 3 Homo sapiens 0.622
CHEMBL5023 p53-binding protein Mdm-2 Homo sapiens 0.447
CHEMBL2820 Coagulation factor XI Homo sapiens 0.231

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
286.7 286.0509 2.45 1 61.69 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.94 1.17 2.22 2.21 2 20 0.85

Structural Alerts

There are no structural alerts for CHEMBL568

Compound Cross References

ATC N - NERVOUS SYSTEM
N05 - PSYCHOLEPTICS
N05B - ANXIOLYTICS
N05BA - Benzodiazepine derivatives
N05BA04 - oxazepam

ChemSpider ChemSpider:ADIMAYPTOBDMTL-UHFFFAOYSA-N
DailyMed oxazepam
PubChem SID: 144205125 SID: 144206372 SID: 144207898 SID: 144213809 SID: 29215230
Wikipedia Oxazepam

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL568



ACToR 35295-88-6 604-75-1
BindingDB 85031
Brenda 11744
ChEBI 7823
DrugBank DB00842
DrugCentral 2015
eMolecules 592985
EPA CompTox Dashboard DTXSID1021087
Guide to Pharmacology 7253
Human Metabolome Database HMDB0061121 HMDB0014980 HMDB0060975
IBM Patent System 653EF673BA8CF5EA335AB6E3DA2C98B1
KEGG Ligand C07359
Nikkaji J3.308A
NMRShiftDB 20182033
PharmGKB PA450731
PubChem 4616
PubChem: Thomson Pharma 14848993
SureChEMBL SCHEMBL27435

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