FEZOLINETANT

Search structure
Synonyms:
Status: Approved (2023)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 83VNE45KXX

Structure
InChI Key PPSNFPASKFYPMN-SECBINFHSA-N
Smile Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1
InChI
InChI=1S/C16H15FN6OS/c1-9-13-19-20-14(15-18-10(2)21-25-15)23(13)8-7-22(9)16(24)11-3-5-12(17)6-4-11/h3-6,9H,7-8H2,1-2H3/t9-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H15FN6OS
Molecular Weight 358.4
AlogP 2.46
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 2.0
Polar Surface Area 76.8
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 25.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Neurokinin 3 receptor antagonist Other PubMed
Primary Target
NK3 receptor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C19
- 48000 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C9
- 42000 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- 90000 - - -
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Neurokinin receptor
- 20 - 219 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hot Flashes 3 D019584 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials
Kidney Diseases 1 D007674 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL3608680
DrugBank DB15669
FDA SRS 83VNE45KXX
Guide to Pharmacology 10422
PubChem 117604931
SureChEMBL SCHEMBL16114810
ZINC ZINC000218861630
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