flibanserin   Click here for help

GtoPdb Ligand ID: 8182

Synonyms: Addyi® | BIMT-17 | Girosa® (proposed trade name)
Approved drug
flibanserin is an approved drug (FDA (2015))
Compound class: Synthetic organic
Comment: Flibanserin is reported as a serotonin 5-HT1A agonist and 5-HT2A antagonist [2]. The compound was originally investigated as a antidepressant [3-4].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 44.27
Molecular weight 390.17
XLogP 3.31
No. Lipinski's rules broken 0
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Canonical SMILES O=c1[nH]c2c(n1CCN1CCN(CC1)c1cccc(c1)C(F)(F)F)cccc2
Isomeric SMILES O=c1[nH]c2c(n1CCN1CCN(CC1)c1cccc(c1)C(F)(F)F)cccc2
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)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2015))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
7512 flibanserin
Synonyms Click here for help
Addyi® | BIMT-17 | Girosa® (proposed trade name)
Database Links Click here for help
Specialist databases
GPCRdb Ligand flibanserin
Other databases
CAS Registry No. 167933-07-5
ChEMBL Ligand CHEMBL231068
DrugBank Ligand DB04908
DrugCentral Ligand 5022
GtoPdb PubChem SID 249565862
PubChem CID 6918248
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UniChem Compound Search for chemical match using the InChIKey PPRRDFIXUUSXRA-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey PPRRDFIXUUSXRA-UHFFFAOYSA-N
Wikipedia Flibanserin