EcoDrugPlus


Synonyms	CL 83,544 CL-83544 Dolinac Felbinac Felbinac ethyl Flexfree L-141 LJC 10,141 LJC-10141 Ly-61017 NSC-16284 Napageln Target Traxam
Status
Molecule Category	Free-form
ATC	M02AA08
UNII	94WNJ5U8L7
EPA CompTox	DTXSID0045389

Synonyms

CL 83,544

CL-83544

Dolinac

Felbinac

Felbinac ethyl

Flexfree

L-141

LJC 10,141

LJC-10141

Ly-61017

NSC-16284

Napageln

Target

Traxam

Status

Molecule Category

Free-form

ATC

M02AA08

UNII

94WNJ5U8L7

EPA CompTox

DTXSID0045389


InChI Key	QRZAKQDHEVVFRX-UHFFFAOYSA-N
Smiles	O=C(O)Cc1ccc(-c2ccccc2)cc1
InChI	InChI=1S/C14H12O2/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2,(H,15,16)

InChI Key

QRZAKQDHEVVFRX-UHFFFAOYSA-N

Smiles

O=C(O)Cc1ccc(-c2ccccc2)cc1

InChI

InChI=1S/C14H12O2/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2,(H,15,16)

Property Name	Value
Molecular Formula	C14H12O2
Molecular Weight	212.25
AlogP	2.98
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	37.3
Molecular species	ACID
Aromatic Rings	2.0
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C14H12O2

Molecular Weight

212.25

AlogP

2.98

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

3.0

Polar Surface Area

37.3

Molecular species

ACID

Aromatic Rings

2.0

Heavy Atoms

16.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Mus musculus	-	-	-	-	68.6

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Mus musculus

68.6

Resources	Reference
ChEBI	31597
ChEMBL	CHEMBL413965
DrugBank	DB07477
DrugCentral	1141
FDA SRS	94WNJ5U8L7
PDB	BP4
PharmGKB	PA166049177
PubChem	3332
SureChEMBL	SCHEMBL26084
ZINC	ZINC000000002318

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

PDB

PharmGKB

PubChem

SureChEMBL

ZINC

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, and Henri Xhaard. EcoDrugPLUS: An advanced database for drug target conservation analysis and environmental risk assessment. Nucleic Acids Research. In press.

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

FELBINAC

Structure

Physicochemical Descriptors

Pharmacology

Cross References