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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL969
CHEMBL969
Compound Name PRAZEPAM
ChEMBL Synonyms Prazepam | W-4020 | CENTRAX | W 4020
Max Phase 4 (Approved)
Trade Names Prazepam | CENTRAX
Molecular Formula C19H17ClN2O

Additional synonyms for CHEMBL969 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1ccc2N(CC3CC3)C(=O)CN=C(c4ccccc4)c2c1
Standard InChI InChI=1S/C19H17ClN2O/c20-15-8-9-17-16(10-15)19(14-4-2-1-3-5- ...
Download InChI
Standard InChI Key MWQCHHACWWAQLJ-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


CHEMBL969

Molecule Features

CHEMBL969 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:Discontinued

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
ANXIETYD001007EFO:0005230ANXIETY4ATC

Clinical Data

ClinicalTrials.gov PRAZEPAM
The Cochrane Collaboration PRAZEPAM

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 CHEMBL969. 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
CHEMBL5023 p53-binding protein Mdm-2 Homo sapiens 0.760
CHEMBL218 Cannabinoid CB1 receptor Homo sapiens 0.452
CHEMBL253 Cannabinoid CB2 receptor Homo sapiens 0.364

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1962 GABA receptor alpha-1 subunit Homo sapiens 1.000
CHEMBL5023 p53-binding protein Mdm-2 Homo sapiens 0.988
CHEMBL218 Cannabinoid CB1 receptor Homo sapiens 0.800
CHEMBL253 Cannabinoid CB2 receptor Homo sapiens 0.622

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
324.8 324.1029 3.99 3 32.67 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 3.44 3.7 3.7 2 23 0.86

Structural Alerts

There are no structural alerts for CHEMBL969

Compound Cross References

ATC N - NERVOUS SYSTEM
N05 - PSYCHOLEPTICS
N05B - ANXIOLYTICS
N05BA - Benzodiazepine derivatives
N05BA11 - prazepam

ChemSpider ChemSpider:MWQCHHACWWAQLJ-UHFFFAOYSA-N
PubChem SID: 144206168 SID: 144207274 SID: 50113069
Wikipedia Prazepam

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL969



ACToR 2955-38-6
ChEBI 8362
DrugBank DB01588
DrugCentral 2240
eMolecules 593486
EPA CompTox Dashboard DTXSID4021181
FDA SRS Q30VCC064M
Guide to Pharmacology 7275
Human Metabolome Database HMDB0015527
IBM Patent System F95E7514A8A76B366C41C0FEDBE1090D
KEGG Ligand C07366
Nikkaji J3.397I
PharmGKB PA164776668
PubChem 4890
PubChem: Thomson Pharma 14874926
SureChEMBL SCHEMBL78272
ZINC ZINC000000001971

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