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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1213252
CHEMBL1213252
Compound Name CLORAZEPIC ACID
ChEMBL Synonyms DIPOTASSIUM CLORAZEPATE | 4306 CB | POTASSIUM CLORAZEPATE | Potassium Clorazepate | ABBOTT-35616 | ABBOTT-39083 | CLORAZEPATE MONOPOTASSIUM | CLORAZEPIC ACID | CLORAZEPATE DIPOTASSIUM | TRANXENE | GEN-XENE | Clorazepate | 4311 CB | TRANXENE SD
Max Phase 4 (Approved)
Trade Names TRANXENE SD | CLORAZEPATE DIPOTASSIUM | GEN-XENE | TRANXENE
Molecular Formula C16H11ClN2O3

Additional synonyms for CHEMBL1213252 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)C1N=C(c2ccccc2)c3cc(Cl)ccc3NC1=O
Standard InChI InChI=1S/C16H11ClN2O3/c17-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9 ...
Download InChI
Standard InChI Key XDDJGVMJFWAHJX-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL1213252

Molecule Features

CHEMBL1213252 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:Y 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 FDA ISBN

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
AnxietyD001007EFO:0005230anxiety0ATC

Clinical Data

ClinicalTrials.gov CLORAZEPIC ACID
The Cochrane Collaboration CLORAZEPIC ACID

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 CHEMBL1213252. 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 1.000
CHEMBL298 Cholecystokinin B receptor Homo sapiens 1.000
CHEMBL2820 Coagulation factor XI Homo sapiens 0.997
CHEMBL3407319 Neurogenic locus notch homolog protein 3 Homo sapiens 0.584
CHEMBL2146346 Neurogenic locus notch homolog protein 1 Homo sapiens 0.322

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL298 Cholecystokinin B receptor Homo sapiens 1.000
CHEMBL2871 Cholecystokinin A receptor Rattus norvegicus 1.000
CHEMBL2820 Coagulation factor XI Homo sapiens 0.991
CHEMBL2146346 Neurogenic locus notch homolog protein 1 Homo sapiens 0.439
CHEMBL3407319 Neurogenic locus notch homolog protein 3 Homo sapiens 0.439

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
314.7 314.0458 2.58 2 78.76 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
.8 3.43 2.54 -1.17 2 22 0.84

Structural Alerts

There are 1 structural alerts for CHEMBL1213252. To view alerts please click here.

Compound Cross References

ATC N - NERVOUS SYSTEM
N05 - PSYCHOLEPTICS
N05B - ANXIOLYTICS
N05BA - Benzodiazepine derivatives
N05BA05 - potassium clorazepate

ChemSpider ChemSpider:XDDJGVMJFWAHJX-UHFFFAOYSA-N
DailyMed clorazepate dipotassium

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1213252



ACToR 20432-69-3 23887-31-2
ChEBI 3761
DrugBank DB00628
DrugCentral 711
EPA CompTox Dashboard DTXSID20863674
Guide to Pharmacology 7548
Human Metabolome Database HMDB0014766
IBM Patent System 2F2D0CD2EA33B9E22DBBA93D4E1FBF58
KEGG Ligand C06921
Nikkaji J20.289D
PharmGKB PA164749297
PubChem 2809
PubChem: Thomson Pharma 14950450
SureChEMBL SCHEMBL1649064

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