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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL70418
CHEMBL70418
Compound Name CLOBAZAM
ChEMBL Synonyms URBANYL | ONFI | CLOBAZAM | LM 2717 | TAPCLOB | FRISIUM | HR 376 | H 4723 | PERIZAM
Max Phase 4 (Approved)
Trade Names FRISIUM | TAPCLOB | PERIZAM | ONFI | URBANYL
Molecular Formula C16H13ClN2O2

Additional synonyms for CHEMBL70418 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1C(=O)CC(=O)N(c2ccccc2)c3cc(Cl)ccc13
Standard InChI InChI=1S/C16H13ClN2O2/c1-18-13-8-7-11(17)9-14(13)19(16(21)10 ...
Download InChI
Standard InChI Key CXOXHMZGEKVPMT-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


CHEMBL70418

Molecule Features

CHEMBL70418 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: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 PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
AnxietyD001007EFO:0005230anxiety4ATC
ClinicalTrials
PainD010146EFO:0003843pain3ClinicalTrials
Epilepsies, MyoclonicD004831Orphanet:33069Dravet syndrome3ClinicalTrials
SchizophreniaD012559EFO:0000692schizophrenia3ClinicalTrials
DementiaD003704HP:0000726dementia3ClinicalTrials
Epilepsia Partialis ContinuaD017036EFO:1000924epilepsia partialis continua3ClinicalTrials
Lennox Gastaut SyndromeD065768Orphanet:2382Lennox-Gastaut syndrome3ClinicalTrials
Depressive DisorderD003866EFO:0003761unipolar depression3ClinicalTrials
NeuralgiaD009437EFO:0005762neuropathic pain1ClinicalTrials

Clinical Data

ClinicalTrials.gov CLOBAZAM
The Cochrane Collaboration CLOBAZAM

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 CHEMBL70418. 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
CHEMBL4552 Peripheral-type benzodiazepine receptor Rattus norvegicus 0.327
CHEMBL1250375 NADPH oxidase 4 Homo sapiens 0.226

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1287628 NADPH oxidase 1 Homo sapiens 0.838
CHEMBL1250375 NADPH oxidase 4 Homo sapiens 0.405
CHEMBL4071 Cathepsin G Homo sapiens 0.352

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
300.8 300.0666 3.37 1 40.62 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.59 - 1.25 1.22 2 21 0.76

Structural Alerts

There are 1 structural alerts for CHEMBL70418. To view alerts please click here.

Compound Cross References

ATC N - NERVOUS SYSTEM
N05 - PSYCHOLEPTICS
N05B - ANXIOLYTICS
N05BA - Benzodiazepine derivatives
N05BA09 - clobazam

ChemSpider ChemSpider:CXOXHMZGEKVPMT-UHFFFAOYSA-N
DailyMed clobazam
PubChem SID: 144206161
Wikipedia Clobazam

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL70418



ACToR 22316-47-8
ChEBI 31413
DrugBank DB00349
DrugCentral 682
eMolecules 536528
EPA CompTox Dashboard DTXSID2046759
FDA SRS 2MRO291B4U
Guide to Pharmacology 7149
Human Metabolome Database HMDB0014493
IBM Patent System 9C4A13D97DFE9DD7C108EE4F05A81456
Nikkaji J11.411A
PharmGKB PA10888
PubChem 2789
PubChem: Thomson Pharma 15394984
SureChEMBL SCHEMBL43038
ZINC ZINC000000001175

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