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Compound Detail

CHEMBL508102

CARBIMAZOLE
🧪 Phase III
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🧪 Phase III
CCOC(=O)n1ccn(C)c1=S

Basic Information

ChEMBL ID CHEMBL508102
Name CARBIMAZOLE
Phase Phase III
Structure Type MOL
InChI Key CFOYWRHIYXMDOT-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Carbimazol Carbimazol henning Carbimazole Neo-mercazole 20 Neo-mercazole 5 NSC-758966
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
20
Publications
6
Known Names
2
Indications
1
Mechanisms

Molecular Properties

186.2
MW (Da)
1.56
ALogP
5
HBA
0
HBD
36.2
PSA (Ų)
0.62
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product

Extended Properties

Molecular Formula C7H10N2O2S
MW 186.24
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness -1.02

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Thyroid peroxidase inhibitor INHIBITOR Thyroid peroxidase

Indications

Thyroid Diseases Thyrotoxicosis

ATC Classification

H03BB01
carbimazole
Level 1: SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
Level 2: THYROID THERAPY

Activity Summary

IC50 2 meas. best 4.98

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lactoperoxidase
CHEMBL5898
IC50 4.98 4.98 10400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lactoperoxidase IC50 = 10400.0 nM 4.98 Inhibition of lactoperoxidase-catalyzed iodination of L-tyrosine assessed as 3,5... 18954039

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3885881 Rattus norvegicus 295
15646539 10.1016/s0399-8320(04)95062-2 Unchecked 11
15646539 10.1016/s0399-8320(04)95062-2 NON-PROTEIN TARGET 8
20014752 10.1021/tx900326k Hepatotoxicity 3
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2B 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
37468498 10.1038/s41467-023-40064-9 Gamma-aminobutyric acid receptor subunit alpha-1 2
37468498 10.1038/s41467-023-40064-9 Mu-type opioid receptor 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M2 2
37468498 10.1038/s41467-023-40064-9 Progesterone receptor 2
22931300 10.1021/tx300075j Cytochrome P450 3A4 2
37468498 10.1038/s41467-023-40064-9 Alpha-2A adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 1A 2
22931300 10.1021/tx300075j Liver microsomes 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2A 2
22931300 10.1021/tx300075j Cytochrome P450 2C19 1
38318365 10.1016/j.isci.2024.108907 Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B1 1

Data from ChEMBL 36 via Core Engine