ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL968
CHEMBL968
Compound Name FLURAZEPAM
ChEMBL Synonyms Dalmane | FLURAZEPAM HYDROCHLORIDE | DALMANE | FLURAZEPAM | RO 5-6901
Max Phase 4 (Approved)
Trade Names DALMANE | FLURAZEPAM HYDROCHLORIDE
Molecular Formula C21H23ClFN3O

Additional synonyms for CHEMBL968 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN(CC)CCN1C(=O)CN=C(c2ccccc2F)c3cc(Cl)ccc13
Standard InChI InChI=1S/C21H23ClFN3O/c1-3-25(4-2)11-12-26-19-10-9-15(22)13- ...
Download InChI
Standard InChI Key SAADBVWGJQAEFS-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL968

Molecule Features

CHEMBL968 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule 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

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
AnxietyD001007EFO:0005230anxiety3ClinicalTrials
Sleep Initiation and Maintenance DisordersD007319EFO:0004698insomnia1ClinicalTrials
DementiaD003704HP:0000726dementia3ClinicalTrials
Depressive DisorderD003866EFO:0003761unipolar depression3ClinicalTrials
SchizophreniaD012559EFO:0000692schizophrenia3ClinicalTrials

Clinical Data

ClinicalTrials.gov FLURAZEPAM
The Cochrane Collaboration FLURAZEPAM

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 CHEMBL968. 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
CHEMBL1962 GABA receptor alpha-1 subunit Homo sapiens 1.000
CHEMBL250 Platelet activating factor receptor Homo sapiens 1.000
CHEMBL4552 Peripheral-type benzodiazepine receptor Rattus norvegicus 0.807

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1962 GABA receptor alpha-1 subunit Homo sapiens 1.000
CHEMBL250 Platelet activating factor receptor Homo sapiens 1.000
CHEMBL4552 Peripheral-type benzodiazepine receptor Rattus norvegicus 0.973
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.324

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
387.9 387.1514 4 6 35.91 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.79 4.84 2.49 2 27 0.75

Structural Alerts

There are no structural alerts for CHEMBL968

Compound Cross References

ATC N - NERVOUS SYSTEM
N05 - PSYCHOLEPTICS
N05C - HYPNOTICS AND SEDATIVES
N05CD - Benzodiazepine derivatives
N05CD01 - flurazepam

ChemSpider ChemSpider:SAADBVWGJQAEFS-UHFFFAOYSA-N
DailyMed flurazepam hydrochloride
PubChem SID: 144205754 SID: 170465018 SID: 26757995
Wikipedia Flurazepam

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL968



ACToR 17617-23-1
Brenda 144076
ChEBI 5128
DrugBank DB00690
DrugCentral 1218
eMolecules 1986868
EPA CompTox Dashboard DTXSID1023071
FDA SRS IHP475989U
Guide to Pharmacology 7188
Human Metabolome Database HMDB0014828
IBM Patent System 9B50489118BBA19255D4955E7C89601B
Nikkaji J3.142I
PDBe FL7
PharmGKB PA449681
PubChem 3393
PubChem: Thomson Pharma 16847426
SureChEMBL SCHEMBL29793
ZINC ZINC000000537752

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