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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL508102
CHEMBL508102
Compound Name CARBIMAZOLE
ChEMBL Synonyms NEO-MERCAZOLE 20 | ATHYROMAZOLE | CARBIMAZOLE | NEO-MERCAZOLE 5
Max Phase 4 (Approved)
Trade Names NEO-MERCAZOLE 20 | NEO-MERCAZOLE 5
Molecular Formula C7H10N2O2S

Additional synonyms for CHEMBL508102 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC(=O)N1C=CN(C)C1=S
Standard InChI InChI=1S/C7H10N2O2S/c1-3-11-7(10)9-5-4-8(2)6(9)12/h4-5H,3H2, ...
Download InChI
Standard InChI Key CFOYWRHIYXMDOT-UHFFFAOYSA-N

Sources

  • British National Formulary
  • DrugMatrix
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL508102

Molecule Features

CHEMBL508102 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Unknown

Mechanism of Action

Mechanism of Action ChEMBL Target References
Thyroid peroxidase inhibitor Thyroid peroxidase PubMed PubMed PubMed PubMed PubMed

Clinical Data

ClinicalTrials.gov CARBIMAZOLE
The Cochrane Collaboration CARBIMAZOLE

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 CHEMBL508102. 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
CHEMBL1287622 Lethal(3)malignant brain tumor-like protein 1 Homo sapiens 0.235

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
186.2 186.0463 1.56 1 36.16 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 0 0 4 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - .16 .16 1 12 0.62

Structural Alerts

There are 5 structural alerts for CHEMBL508102. To view alerts please click here.

Compound Cross References

ATC H - SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
H03 - THYROID THERAPY
H03B - ANTITHYROID PREPARATIONS
H03BB - Sulfur-containing imidazole derivatives
H03BB01 - carbimazole

ChemSpider ChemSpider:CFOYWRHIYXMDOT-UHFFFAOYSA-N
PubChem SID: 11112670 SID: 144204147 SID: 144212637 SID: 170465583 SID: 26749040
Wikipedia Carbimazole

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL508102



ACToR 22232-54-8
BindingDB 50275889
ChEBI 617099
ChemicalBook CB3731303
DrugBank DB00389
DrugCentral 497
eMolecules 889429
EPA CompTox Dashboard DTXSID9022736
FDA SRS 8KQ660G60G
Human Metabolome Database HMDB0014533
IBM Patent System 4C034846955FDF514239B66FF9C5FBCF
KEGG Ligand C07615
LINCS LSM-5930
Mcule MCULE-1170558032
MolPort MolPort-003-666-636
Nikkaji J11.419G
PharmGKB PA164742970
PubChem 31072
PubChem: Thomson Pharma 15017436
Selleck carbimazole
SureChEMBL SCHEMBL44211
ZINC ZINC000000001091

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