CARBIMAZOLE

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Search structure


Synonyms	Athyromazole Carbimazol henning Carbimazole NSC-758966 Neo-mercazole 20 Neo-mercazole 5
Status
Molecule Category	Free-form
ATC	H03BB01
UNII	8KQ660G60G
EPA CompTox	DTXSID9022736

Structure


InChI Key	CFOYWRHIYXMDOT-UHFFFAOYSA-N
Smiles	CCOC(=O)n1ccn(C)c1=S
InChI	InChI=1S/C7H10N2O2S/c1-3-11-7(10)9-5-4-8(2)6(9)12/h4-5H,3H2,1-2H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C7H10N2O2S
Molecular Weight	186.24
AlogP	1.56
Hydrogen Bond Acceptor	5.0
Number of Rotational Bond	1.0
Polar Surface Area	36.16
Heavy Atoms	12.0

Pharmacology

Mechanism of Action	Action	Reference
Thyroid peroxidase inhibitor	INHIBITOR	PubMed PubMed PubMed PubMed PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	101.81-114.43

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cricetulus griseus	-	-	-	-	101.81-114.43

Cross References

Resources	Reference
ChEBI	617099
ChEMBL	CHEMBL508102
DrugBank	DB00389
DrugCentral	497
FDA SRS	8KQ660G60G
Human Metabolome Database	HMDB0014533
KEGG	C07615
PharmGKB	PA164742970
PubChem	31072
SureChEMBL	SCHEMBL44211
ZINC	ZINC000000001091

CONTENTS

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025