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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL108
CHEMBL108
Compound Name CARBAMAZEPINE
ChEMBL Synonyms EPIMAZ RET | EQUETRO | TEGRETOL | TERIL | TEGRETOL-XR | SIRTAL RET | TEGRETOL PROLONGED RELEASE | TIMONIL 400 RET | Tegretol XR | CARBAMAZEPINE | CARNEXIV | ARBIL MR | EPITOL | TEGRETOL CHEWTAB | CARBAGEN SR | G-32883 | TERIL RET | TIMONIL 200 RET | CARBATROL | EPIMAZ
Max Phase 4 (Approved)
Trade Names ARBIL MR | EPITOL | TEGRETOL CHEWTAB | CARBAMAZEPINE | CARNEXIV | EPIMAZ RET | SIRTAL RET | TEGRETOL PROLONGED RELEASE | TIMONIL 400 RET | Tegretol XR | CARBAGEN SR | TEGRETOL | TEGRETOL-XR | TERIL | CARBATROL | EPIMAZ | EQUETRO | TERIL RET | TIMONIL 200 RET
Molecular Formula C15H12N2O

Additional synonyms for CHEMBL108 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=O)N1c2ccccc2C=Cc3ccccc13
Standard InChI InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2 ...
Download InChI
Standard InChI Key FFGPTBGBLSHEPO-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • BindingDB Database
  • British National Formulary
  • DrugMatrix
  • Open TG-GATEs
  • 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


CHEMBL108

Molecule Features

CHEMBL108 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Y Parenteral:Y Topical:N Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Sodium channel alpha subunit blocker Sodium channel alpha subunit PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Depressive DisorderD003866EFO:0003761unipolar depression3ClinicalTrials
Epilepsies, PartialD004828EFO:0004263partial epilepsy4DailyMed
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Epilepsy, ReflexD020195EFO:1001146reflex epilepsy2ClinicalTrials
HIV InfectionsD015658EFO:0000764HIV infection2ClinicalTrials
SchizophreniaD012559EFO:0000692schizophrenia3ClinicalTrials
Cocaine-Related DisordersD019970EFO:0002610cocaine dependence2ClinicalTrials
Glossopharyngeal Nerve DiseasesD0204354DailyMed
DailyMed
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Trigeminal NeuralgiaD014277EFO:1001219trigeminal neuralgia4ClinicalTrials
DailyMed
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AnxietyD001007EFO:0005230anxiety3ClinicalTrials
Bipolar DisorderD001714EFO:0000289bipolar disorder4ClinicalTrials
DailyMed
DementiaD003704HP:0000726dementia3ClinicalTrials
EpilepsyD004827EFO:0000474epilepsy4ATC
ClinicalTrials
DailyMed
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DailyMed
NauseaD009325EFO:0006911Chemotherapy-induced nausea and vomiting2ClinicalTrials
SeizuresD012640HP:0001250Seizures3ClinicalTrials

Clinical Data

ClinicalTrials.gov CARBAMAZEPINE
The Cochrane Collaboration CARBAMAZEPINE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
236.3 236.095 3.39 0 46.33 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 1 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.94 - 1.9 1.9 2 18 0.75

Structural Alerts

There are 1 structural alerts for CHEMBL108. To view alerts please click here.

Compound Cross References

ATC N - NERVOUS SYSTEM
N03 - ANTIEPILEPTICS
N03A - ANTIEPILEPTICS
N03AF - Carboxamide derivatives
N03AF01 - carbamazepine

ChemSpider ChemSpider:FFGPTBGBLSHEPO-UHFFFAOYSA-N
DailyMed carbamazepine
PubChem SID: 11110939 SID: 11110940 SID: 124879629 SID: 144203655 SID: 144209471 SID: 144210515 SID: 170464712 SID: 17389547 SID: 26751576 SID: 50104203 SID: 56314829 SID: 56422193 SID: 855967 SID: 90341617
Wikipedia Carbamazepine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL108



ACToR 298-46-4
Atlas carbamazepine
BindingDB 50003659
Brenda 151031 7452
ChEBI 3387
ChemicalBook CB1143564
DrugBank DB00564
DrugCentral 489
eMolecules 535714 27677745
EPA CompTox Dashboard DTXSID4022731
FDA SRS 33CM23913M
Guide to Pharmacology 5339
Human Metabolome Database HMDB0014704
IBM Patent System 90FB0D0D3113CC884658C677737B7782
KEGG Ligand C06868
LINCS LSM-3610
Mcule MCULE-9121567287
MolPort MolPort-023-220-275 MolPort-000-710-574
NIH Clinical Collection SAM002264603
Nikkaji J8.590A
PharmGKB PA448785
PubChem 2554
PubChem: Drugs of the Future 57304372
PubChem: Thomson Pharma 14847331
Selleck Carbamazepine(Carbatrol)
SureChEMBL SCHEMBL21639 SCHEMBL19838283
ZINC ZINC000000004785

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