BENZBROMARONE

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Search structure


Synonyms	Benzbromaron Benzbromarone Benzpromarone Desuric L-2214 MJ 10061 MJ-10061 NSC-85433 Narcaricin mite Uroleap
Status
Molecule Category	Free-form
ATC	M04AB03
UNII	4POG0RL69O
EPA CompTox	DTXSID4022652

Structure


InChI Key	WHQCHUCQKNIQEC-UHFFFAOYSA-N
Smiles	CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1
InChI	InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C17H12Br2O3
Molecular Weight	424.09
AlogP	5.46
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	50.44
Molecular species	ACID
Aromatic Rings	3.0
Heavy Atoms	22.0

Pharmacology

Mechanism of Action	Action	Reference
Solute carrier family 22 member 12 inhibitor	INHIBITOR	PubMed PubMed PubMed PubMed PubMed PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 1 Cytochrome P450 family 1A Cytochrome P450 1A2	-	-	-	-	12
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C9	-	41-41	-	19-19	-
Enzyme Oxidoreductase	-	48	-	-	73.3
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	19.5-86.6
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters	-	22-300	-	-	-26.77-102.58
Transporter Primary active transporter ATP-binding cassette ABCC subfamily	-	-	-	190	-
Unclassified protein	-	-	-	-	62-102

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Escherichia coli	-	-	-	-	62-102
Homo sapiens	-	22-300	-	19-190	-26.77-102.58
Mus musculus	-	-	-	-	99.74
Pseudomonas aeruginosa	-	-	-	-	73.3
Staphylococcus aureus	-	130	-	-	-

Target Conservation


Protein: Solute carrier family 22 member 12 Description: Solute carrier family 22 member 12 Organism : Homo sapiens Q96S37 ENSG00000197891

Related Entries

Cross References

Resources	Reference
ChEBI	3023
ChEMBL	CHEMBL388590
DrugBank	DB12319
DrugCentral	318
FDA SRS	4POG0RL69O
Human Metabolome Database	HMDB0041834
PDB	R75
PubChem	2333
SureChEMBL	SCHEMBL48993
ZINC	ZINC000000608205

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