EcoDrugPlus


Synonyms	Florbetaben
Status
Molecule Category	Free-form
UNII	TLA7312TOI
EPA CompTox	DTXSID20238065


InChI Key	NCWZOASIUQVOFA-NSCUHMNNSA-N
Smiles	CNc1ccc(/C=C/c2ccc(OCCOCCOCCF)cc2)cc1
InChI	InChI=1S/C21H26FNO3/c1-23-20-8-4-18(5-9-20)2-3-19-6-10-21(11-7-19)26-17-16-25-15-14-24-13-12-22/h2-11,23H,12-17H2,1H3/b3-2+

Property Name	Value
Molecular Formula	C21H26FNO3
Molecular Weight	359.44
AlogP	4.28
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	12.0
Polar Surface Area	39.72
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	26.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Mus musculus	-	-	16	-	-

Resources	Reference
CAS NUMBER	902143-01-5
ChEMBL	CHEMBL1908906
FDA SRS	TLA7312TOI
Guide to Pharmacology	7769
SureChEMBL	SCHEMBL2829585
ZINC	ZINC000043194409

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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

Last update: Monday, 23^rd March 2026

FLORBETABEN

Structure

Physicochemical Descriptors

Pharmacology

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