EcoDrugPlus


Synonyms	Acino Brabafen Fenfluramin Fenfluramine J5.760F Obedrex Pesos Phenfluramine Ponderax pa Rotondin S-768 Z-008 Z008 ZX-008 ZX008
Status
Molecule Category	Free-form
ATC	A08AA02 N03AX26
UNII	2DS058H2CF
EPA CompTox	DTXSID4023044


InChI Key	DBGIVFWFUFKIQN-UHFFFAOYSA-N
Smiles	CCNC(C)Cc1cccc(C(F)(F)F)c1
InChI	InChI=1S/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3

Property Name	Value
Molecular Formula	C12H16F3N
Molecular Weight	231.26
AlogP	3.25
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	12.03
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	16.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family	108	-	-	-	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Rattus norvegicus	108-740	-	-	-	-

Resources	Reference
ChEBI	5000
ChEMBL	CHEMBL87493
DrugBank	DB00574
DrugCentral	1150
FDA SRS	2DS058H2CF
Guide to Pharmacology	4613
KEGG	C06996
PharmGKB	PA164747936
PubChem	3337
SureChEMBL	SCHEMBL16215

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

FENFLURAMINE

Structure

Physicochemical Descriptors

Pharmacology

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