FLIBANSERIN

/static/temp/default.svg

Search structure


Trade Names	ADDYI
Synonyms	Addyi BIMT 17 BIMT 17 BS BIMT-17 BIMT-17-BS Ectris Flibanserin
Status
Molecule Category	Free-form
ATC	G02CX02
UNII	37JK4STR6Z

Structure


InChI Key	PPRRDFIXUUSXRA-UHFFFAOYSA-N
Smiles	O=c1[nH]c2ccccc2n1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChI	InChI=1S/C20H21F3N4O/c21-20(22,23)15-4-3-5-16(14-15)26-11-8-25(9-12-26)10-13-27-18-7-2-1-6-17(18)24-19(27)28/h1-7,14H,8-13H2,(H,24,28)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C20H21F3N4O
Molecular Weight	390.41
AlogP	3.17
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	44.27
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	28.0

Pharmacology

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor	630.96	-	-	11.75	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	630.96	-	-	-	-
Rattus norvegicus	-	-	-	11.75	-

Cross References

Resources	Reference
ChEBI	90865
ChEMBL	CHEMBL231068
DrugBank	DB04908
DrugCentral	5022
FDA SRS	37JK4STR6Z
Guide to Pharmacology	8182
PharmGKB	PA166153431
PubChem	6918248
SureChEMBL	SCHEMBL247579
ZINC	ZINC000052716421

CONTENTS

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