EcoDrugPlus


Synonyms	Aceclofenac Aceclofenac betadex Gerbin Preservex
Status
Molecule Category	Free-form
ATC	M01AB16 M02AA25
UNII	RPK779R03H
EPA CompTox	DTXSID7045522

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SubStructure

Threshold (%) >= 70


InChI Key	MNIPYSSQXLZQLJ-UHFFFAOYSA-N
Smiles	O=C(O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
InChI	InChI=1S/C16H13Cl2NO4/c17-11-5-3-6-12(18)16(11)19-13-7-2-1-4-10(13)8-15(22)23-9-14(20)21/h1-7,19H,8-9H2,(H,20,21)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C16H13Cl2NO4
Molecular Weight	354.19
AlogP	3.91
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	6.0
Polar Surface Area	75.63
Molecular species	ACID
Aromatic Rings	2.0
Heavy Atoms	23.0

Mechanism of Action	Action	Reference
Cyclooxygenase-2 inhibitor	INHIBITOR	PubMed PubMed Other PubMed

Target Conservation


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

Cross References

Resources	Reference
ChEBI	31159
ChEMBL	CHEMBL93645
DrugBank	DB06736
DrugCentral	43
FDA SRS	RPK779R03H
PharmGKB	PA166049185
PubChem	71771
SureChEMBL	SCHEMBL25734
ZINC	ZINC000003805798

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

ACECLOFENAC

Structure

Physicochemical Descriptors

Pharmacology

Target Conservation

Related Entries

Cross References