FEZOLINETANT

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Search structure


Synonyms	A-2693 A2693 AS-3472693-00 AS3472693-00 ES-256364 ESN-364 ESN364 Esn364 Fezolinetant
Status
Molecule Category	Free-form
UNII	83VNE45KXX

Structure


InChI Key	PPSNFPASKFYPMN-SECBINFHSA-N
Smiles	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
Number of Rotational Bond	2.0
Polar Surface Area	76.8
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	25.0

Pharmacology

Mechanism of Action	Action	Reference
Neurokinin 3 receptor antagonist	ANTAGONIST	Other PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Neurokinin receptor	-	19.95	-	25.12-219	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	19.95	-	25.12	-
Macaca mulatta	-	-	-	25	-
Rattus norvegicus	-	-	-	219	-

Target Conservation


Protein: Neurokinin 3 receptor Description: Neuromedin-K receptor Organism : Homo sapiens P29371 ENSG00000169836

Cross References

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

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...

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Last update: Monday, 3 November 2025