EcoDrugPlus


Trade Names	ESBRIET
Synonyms	AMR-69 Esbriet NSC-748456 Pirespa Pirfenidone
Status
Molecule Category	Free-form
ATC	L04AX05
UNII	D7NLD2JX7U
EPA CompTox	DTXSID4045183


InChI Key	ISWRGOKTTBVCFA-UHFFFAOYSA-N
Smiles	Cc1ccc(=O)n(-c2ccccc2)c1
InChI	InChI=1S/C12H11NO/c1-10-7-8-12(14)13(9-10)11-5-3-2-4-6-11/h2-9H,1H3

Property Name	Value
Molecular Formula	C12H11NO
Molecular Weight	185.23
AlogP	2.15
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	22.0
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	14.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	710	-	-	-
Rattus norvegicus	-	-	-	-	100

Resources	Reference
ChEBI	32016
ChEMBL	CHEMBL1256391
DrugBank	DB04951
DrugCentral	4224
FDA SRS	D7NLD2JX7U
Guide to Pharmacology	7532
PubChem	40632
SureChEMBL	SCHEMBL4708
ZINC	ZINC000000001958

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

PIRFENIDONE

Structure

Physicochemical Descriptors

Pharmacology

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