PAVINETANT

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H25N3O3S
Molecular Weight	459.56
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC[C@H](NC(=O)C1=C(NS(C)(=O)=O)C(=NC2=CC=CC=C12)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChIKey=QYTBBBAHNIWFOD-NRFANRHFSA-N

InChI=1S/C26H25N3O3S/c1-3-21(18-12-6-4-7-13-18)28-26(30)23-20-16-10-11-17-22(20)27-24(19-14-8-5-9-15-19)25(23)29-33(2,31)32/h4-17,21,29H,3H2,1-2H3,(H,28,30)/t21-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C26H25N3O3S
Molecular Weight	459.56
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://clinicaltrials.gov/ct2/show/NCT00686998 | https://www.ncbi.nlm.nih.gov/pubmed/27459523 | https://www.menopause.org/docs/default-source/speaker-slides/reed-slides-2018.pdf

Pavinetant, also known as MLE-4901, AZD-4901, AZD-2624, is a small molecule, orally active, selective neurokinin-3 (NK3) receptor antagonist developed for schizophrenia, hot flashes, and Polycystic ovary syndrome. The development for schizophrenia was discontinued due to lack of effectiveness. Phase II trials for polycystic ovary syndrome and for hot flashes showed the clinical risks exceeded benefits, in addition, abnormal liver function was observed, and that is why these studies were also discontinued.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Neurokinin 3 receptor 7 Target ID: CHEMBL4429 Sources: https://www.ncbi.nlm.nih.gov/pubmed/27298001	Antagonist 2778		1.6 nM [IC50]

PubMed

Title	Date	PubMed
In vitro assessment of metabolic drug–drug interaction potential of AZD2624, neurokinin-3 receptor antagonist, through cytochrome P(450) enzyme identification, inhibition, and induction studies.	2010 Nov	20937004
Tachykinin neurokinin 3 receptor antagonists: a patent review (2005 - 2010).	2011 May	21417773
The selective neurokinin 3 antagonist AZD2624 does not improve symptoms or cognition in schizophrenia: a proof-of-principle study.	2014 Apr	24525659

Patents

Sample Use Guides

In Vivo Use Guide

AZD2624 40 mg

Route of Administration: Oral

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:46:50 GMT 2023` Edited by `admin` on `Sat Dec 16 01:46:50 GMT 2023`
Record UNII	3U471ZVC5K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PAVINETANT

Official Name

English

AZD4901

Code

English

AZD2624

Code

English

Pavinetant [WHO-DD]

Common Name

English

MLE4901

Code

English

PAVINETANT [USAN]

Common Name

English

AZD-2624

Code

English

4-QUINOLINECARBOXAMIDE, 3-((METHYLSULFONYL)AMINO)-2-PHENYL-N-((1S)-1-PHENYLPROPYL)-

Systematic Name

English

3-(Methanesulfonamido)-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide

Systematic Name

English

AZD-4901

Code

English

MLE-4901

Code

English

pavinetant [INN]

Common Name

English

AZD 4901 [WHO-DD]

Common Name

English

AZ-12472520

Code

English

AZ12472520

Code

English

Code System Code Type Description

NCI_THESAURUS

C166698