EcoDrugPlus


Synonyms	Bromfenac ISV-303 Yellox
Status
Molecule Category	Free-form
ATC	S01BC11
UNII	864P0921DW
EPA CompTox	DTXSID7040655


InChI Key	ZBPLOVFIXSTCRZ-UHFFFAOYSA-N
Smiles	Nc1c(CC(=O)O)cccc1C(=O)c1ccc(Br)cc1
InChI	InChI=1S/C15H12BrNO3/c16-11-6-4-9(5-7-11)15(20)12-3-1-2-10(14(12)17)8-13(18)19/h1-7H,8,17H2,(H,18,19)

Property Name	Value
Molecular Formula	C15H12BrNO3
Molecular Weight	334.17
AlogP	2.89
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	80.39
Molecular species	ACID
Aromatic Rings	2.0
Heavy Atoms	20.0

Resources	Reference
ChEBI	240107
ChEMBL	CHEMBL1077
DrugBank	DB00963
DrugCentral	401
FDA SRS	864P0921DW
Human Metabolome Database	HMDB0015098
Guide to Pharmacology	7131
PDB	27R
PharmGKB	PA448670
PubChem	60726
SureChEMBL	SCHEMBL34411
ZINC	ZINC000002570817

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

BROMFENAC

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