EcoDrugPlus


Synonyms	(-)-(r)-etodolac (-)-etodolac Etodolac, (-)- Etodolac, (r)- KS-1056 R-etodolac RAK-593 Sdx-101
Status
Molecule Category	Free-form
UNII	Y1RAH31T6K
EPA CompTox	DTXSID60233938

Datasets:

Active Pharmaceutical Ingredients

Bioactive chemicals

Agrochemicals

Human Metabolites

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SubStructure

Threshold (%) >= 70


InChI Key	NNYBQONXHNTVIJ-QGZVFWFLSA-N
Smiles	CCc1cccc2c3c([nH]c12)[C@@](CC)(CC(=O)O)OCC3
InChI	InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20)/t17-/m1/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C17H21NO3
Molecular Weight	287.36
AlogP	3.38
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	62.32
Molecular species	ACID
Aromatic Rings	2.0
Heavy Atoms	21.0

Mechanism of Action	Action	Reference
Retinoid X receptor alpha modulator	MODULATOR	PubMed PubMed

Target Conservation


Protein: Retinoid X receptor alpha Description: Retinoic acid receptor RXR-alpha Organism : Homo sapiens P19793 ENSG00000186350

Cross References

Resources	Reference
ChEBI	60370
ChEMBL	CHEMBL1716091
FDA SRS	Y1RAH31T6K
PDB	8QS
SureChEMBL	SCHEMBL3905
ZINC	ZINC000000003642

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

SDX-101

Structure

Physicochemical Descriptors

Pharmacology

Target Conservation

Related Entries

Cross References