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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL967
CHEMBL967
Compound Name TEMAZEPAM
ChEMBL Synonyms TEMAZEPAM | RESTORIL | NORMISON | KENTEPAM | TEMAZ | WY-3917
Max Phase 4 (Approved)
Trade Names RESTORIL | TEMAZEPAM | TEMAZ | KENTEPAM | NORMISON
Molecular Formula C16H13ClN2O2

Additional synonyms for CHEMBL967 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1C(=O)C(O)N=C(c2ccccc2)c3cc(Cl)ccc13
Standard InChI InChI=1S/C16H13ClN2O2/c1-19-13-8-7-11(17)9-12(13)14(18-15(20 ...
Download InChI
Standard InChI Key SEQDDYPDSLOBDC-UHFFFAOYSA-N

Sources

  • 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


CHEMBL967

Molecule Features

CHEMBL967 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:Y 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 FDA

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Pulmonary Disease, Chronic ObstructiveD029424EFO:0000341chronic obstructive pulmonary disease3ClinicalTrials
DementiaD003704HP:0000726dementia3ClinicalTrials
SchizophreniaD012559EFO:0000692schizophrenia3ClinicalTrials
Depressive DisorderD003866EFO:0003761unipolar depression3ClinicalTrials
Sleep Initiation and Maintenance DisordersD007319EFO:0004698insomnia1ClinicalTrials
AnxietyD001007EFO:0005230anxiety3ClinicalTrials

Clinical Data

ClinicalTrials.gov TEMAZEPAM
The Cochrane Collaboration TEMAZEPAM

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 CHEMBL967. 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
CHEMBL298 Cholecystokinin B receptor Homo sapiens 1.000
CHEMBL2871 Cholecystokinin A receptor Rattus norvegicus 1.000
CHEMBL3407319 Neurogenic locus notch homolog protein 3 Homo sapiens 1.000
CHEMBL2146346 Neurogenic locus notch homolog protein 1 Homo sapiens 1.000
CHEMBL3508 Cholecystokinin B receptor Rattus norvegicus 0.992
CHEMBL1962 GABA receptor alpha-1 subunit Homo sapiens 0.550



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL298 Cholecystokinin B receptor Homo sapiens 1.000
CHEMBL2871 Cholecystokinin A receptor Rattus norvegicus 1.000
CHEMBL2146346 Neurogenic locus notch homolog protein 1 Homo sapiens 1.000
CHEMBL3407319 Neurogenic locus notch homolog protein 3 Homo sapiens 1.000
CHEMBL3508 Cholecystokinin B receptor Rattus norvegicus 0.966
CHEMBL1962 GABA receptor alpha-1 subunit Homo sapiens 0.683
CHEMBL3526 Muscle glycogen phosphorylase Homo sapiens 0.560

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
300.8 300.0666 2.47 1 52.9 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
11.66 1.58 2.19 2.19 2 21 0.88

Structural Alerts

There are no structural alerts for CHEMBL967

Compound Cross References

ATC N - NERVOUS SYSTEM
N05 - PSYCHOLEPTICS
N05C - HYPNOTICS AND SEDATIVES
N05CD - Benzodiazepine derivatives
N05CD07 - temazepam

ChemSpider ChemSpider:SEQDDYPDSLOBDC-UHFFFAOYSA-N
DailyMed temazepam
PubChem SID: 144205223 SID: 144207242 SID: 29215382
Wikipedia Temazepam

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL967



ACToR 846-50-4
BindingDB 50408032
ChEBI 9435
DrugBank DB00231
DrugCentral 2585
eMolecules 595158
EPA CompTox Dashboard DTXSID8021309
Guide to Pharmacology 7300
Human Metabolome Database HMDB0014376
IBM Patent System FC56386D9C303BE40B97728819997357
KEGG Ligand C07125
LINCS LSM-45470
Nikkaji J7.138B
PharmGKB PA451608
PubChem 5391
PubChem: Thomson Pharma 14873813
SureChEMBL SCHEMBL29463

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