EcoDrugPlus


Synonyms	(p-isobutylphenyl)acetic acid Dytransin Ibufenac NSC-99976 RD 11654 RD-11654
Status
Molecule Category	Free-form
UNII	5V4WIX44VI
EPA CompTox	DTXSID0044107

Datasets:

Active Pharmaceutical Ingredients

Bioactive chemicals

Agrochemicals

Human Metabolites

Search:

Exact

Similarity

SubStructure

Threshold (%) >= 70


InChI Key	CYWFCPPBTWOZSF-UHFFFAOYSA-N
Smiles	CC(C)Cc1ccc(CC(=O)O)cc1
InChI	InChI=1S/C12H16O2/c1-9(2)7-10-3-5-11(6-4-10)8-12(13)14/h3-6,9H,7-8H2,1-2H3,(H,13,14)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C12H16O2
Molecular Weight	192.26
AlogP	2.51
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	37.3
Molecular species	ACID
Aromatic Rings	1.0
Heavy Atoms	14.0

Mechanism of Action	Action	Reference
Cyclooxygenase inhibitor	INHIBITOR	PubMed PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Oxidoreductase	-	-	-	-	14

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Mus musculus	-	-	-	-	14
Rattus norvegicus	-	-	-	-	32

Target Conservation


Protein: Cyclooxygenase Description: Prostaglandin G/H synthase 1 Organism : Homo sapiens P23219 ENSG00000095303












Protein: Cyclooxygenase Description: Prostaglandin G/H synthase 2 Organism : Homo sapiens P35354 ENSG00000073756

Cross References

Resources	Reference
ChEBI	76158
ChEMBL	CHEMBL341812
DrugCentral	3293
FDA SRS	5V4WIX44VI
PharmGKB	PA166049187
PubChem	15250
SureChEMBL	SCHEMBL24244
ZINC	ZINC000000001549

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

IBUFENAC

Structure

Physicochemical Descriptors

Pharmacology

Target Conservation

Related Entries

Cross References