FLIBANSERIN

Search structure
Trade Names:
Synonyms:
Status: Approved (2015)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: G02CX02
UNII: 37JK4STR6Z

Structure
InChI Key PPRRDFIXUUSXRA-UHFFFAOYSA-N
Smile 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

Primary Target
5-HT1A receptor
5-HT2A receptor
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
631 - - 12 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Sexual Dysfunction, Physiological 4 D012735 ClinicalTrials
Prostatic Neoplasms 2 D011471 ClinicalTrials

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
24.94
Nervous system disorders
20.4
Injury, poisoning and procedural complications
10.58
Psychiatric disorders
9.82
Vascular disorders
7.3
Cardiac disorders
6.05
Investigations
6.05
Gastrointestinal disorders
4.53
Respiratory, thoracic and mediastinal disorders
2.77
Skin and subcutaneous tissue disorders
2.02

Cross References

Resources Reference
CAS NUMBER 167933-07-5
ChEBI 90865
ChEMBL CHEMBL231068
DrugBank DB04908
DrugCentral 5022
FDA SRS 37JK4STR6Z
Guide to Pharmacology 8182
PharmGKB PA166153431
PubChem 6918248
SureChEMBL SCHEMBL247579
ZINC ZINC000052716421
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