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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1067
CHEMBL1067
Compound Name LICARBAZEPINE
ChEMBL Synonyms LICARBAZEPINE | 10-hydroxy-carbamazepine
Max Phase 3
Trade Names
Molecular Formula C15H14N2O2

Additional synonyms for CHEMBL1067 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=O)N1c2ccccc2CC(O)c3ccccc13
Standard InChI InChI=1S/C15H14N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11 ...
Download InChI
Standard InChI Key BMPDWHIDQYTSHX-UHFFFAOYSA-N

Sources

  • Curated Drug Pharmacokinetic Data
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1067

Molecule Features

CHEMBL1067 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
EPILEPSYD004827EFO:0000474EPILEPSY1ClinicalTrials
BIPOLAR DISORDERD001714EFO:0000289BIPOLAR DISORDER3ClinicalTrials

Clinical Data

ClinicalTrials.gov LICARBAZEPINE
The Cochrane Collaboration LICARBAZEPINE

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 CHEMBL1067. 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
CHEMBL320 Muscarinic acetylcholine receptor M3 Rattus norvegicus 0.753
CHEMBL4675 Tripeptidyl aminopeptidase Rattus norvegicus 0.437
CHEMBL3766 Vasopressin V2 receptor Rattus norvegicus 0.313
CHEMBL224 Serotonin 2a (5-HT2a) receptor Homo sapiens 0.229

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4675 Tripeptidyl aminopeptidase Rattus norvegicus 0.767
CHEMBL320 Muscarinic acetylcholine receptor M3 Rattus norvegicus 0.544
CHEMBL224 Serotonin 2a (5-HT2a) receptor Homo sapiens 0.349
CHEMBL225 Serotonin 2c (5-HT2c) receptor Homo sapiens 0.269

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
254.3 254.1055 2.02 0 66.56 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 4 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.75 - .65 .65 2 19 0.76

Structural Alerts

There are no structural alerts for CHEMBL1067

Compound Cross References

ChemSpider ChemSpider:BMPDWHIDQYTSHX-UHFFFAOYSA-N
Wikipedia Eslicarbazepine_acetate Licarbazepine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1067



ACToR 29331-92-8
BindingDB 50330859
ChEBI 701
eMolecules 29543507
Human Metabolome Database HMDB0060676
IBM Patent System 8603BC375704791028521114468D829A
KEGG Ligand C07493
LINCS LSM-45929
MolPort MolPort-003-846-741
Nikkaji J394.865J
PubChem 114709
PubChem: Thomson Pharma 15122329
SureChEMBL SCHEMBL420263

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