DEXFENFLURAMINE


Synonyms	D-fenfluramine Dexfenfluramine Fenfluramine d-form Isolipan J13.711A S 5614
Status
Molecule Category	Free-form
ATC	A08AA04
UNII	E35R3G56OV


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	DBGIVFWFUFKIQN-VIFPVBQESA-N
Smiles	CCN[C@@H](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/t9-/m0/s1

Physicochemical Descriptors

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

Assay Description	Organism	Bioactivity	Reference
DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)	None	516.0 nM		DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)	None	217.0 nM

Related Entries

Cross References

Resources	Reference
ChEBI	439329
ChEMBL	CHEMBL248702
DrugBank	DB01191
DrugCentral	832
FDA SRS	E35R3G56OV
Human Metabolome Database	HMDB0015322
PubChem	66265
SureChEMBL	SCHEMBL16706
ZINC	ZINC000000000294

CONTENTS


PREMIER has received funding from the 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 this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the 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 this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).