EcoDrugPlus


Synonyms	Ibustrin Indobufen K-2930 K-3920
Status
Molecule Category	Free-form
ATC	B01AC10
UNII	6T9949G4LZ
EPA CompTox	DTXSID7057789


InChI Key	AYDXAULLCROVIT-UHFFFAOYSA-N
Smiles	CCC(C(=O)O)c1ccc(N2Cc3ccccc3C2=O)cc1
InChI	InChI=1S/C18H17NO3/c1-2-15(18(21)22)12-7-9-14(10-8-12)19-11-13-5-3-4-6-16(13)17(19)20/h3-10,15H,2,11H2,1H3,(H,21,22)

Property Name	Value
Molecular Formula	C18H17NO3
Molecular Weight	295.34
AlogP	3.43
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	57.61
Molecular species	ACID
Aromatic Rings	2.0
Heavy Atoms	22.0

Resources	Reference
ChEBI	135239
ChEMBL	CHEMBL1765292
DrugBank	DB12545
DrugCentral	1439
FDA SRS	6T9949G4LZ
PubChem	107641
SureChEMBL	SCHEMBL140517

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

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