U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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 of PAVINETANT

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
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.

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
1.6 nM [IC50]
PubMed

PubMed

TitleDatePubMed
Tachykinin neurokinin 3 receptor antagonists: a patent review (2005 - 2010).
2011 May
Patents

Sample Use Guides

AZD2624 40 mg
Route of Administration: Oral
Name Type Language
PAVINETANT
INN   USAN  
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
Created by admin on Sat Dec 16 01:46:50 GMT 2023 , Edited by admin on Sat Dec 16 01:46:50 GMT 2023
PRIMARY
FDA UNII
3U471ZVC5K
Created by admin on Sat Dec 16 01:46:50 GMT 2023 , Edited by admin on Sat Dec 16 01:46:50 GMT 2023
PRIMARY
PUBCHEM
23649245
Created by admin on Sat Dec 16 01:46:50 GMT 2023 , Edited by admin on Sat Dec 16 01:46:50 GMT 2023
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USAN
DE-149
Created by admin on Sat Dec 16 01:46:50 GMT 2023 , Edited by admin on Sat Dec 16 01:46:50 GMT 2023
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INN
10773
Created by admin on Sat Dec 16 01:46:50 GMT 2023 , Edited by admin on Sat Dec 16 01:46:50 GMT 2023
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ChEMBL
CHEMBL3545233
Created by admin on Sat Dec 16 01:46:50 GMT 2023 , Edited by admin on Sat Dec 16 01:46:50 GMT 2023
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SMS_ID
100000181125
Created by admin on Sat Dec 16 01:46:50 GMT 2023 , Edited by admin on Sat Dec 16 01:46:50 GMT 2023
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EPA CompTox
DTXSID10916204
Created by admin on Sat Dec 16 01:46:50 GMT 2023 , Edited by admin on Sat Dec 16 01:46:50 GMT 2023
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DRUG BANK
DB11692
Created by admin on Sat Dec 16 01:46:50 GMT 2023 , Edited by admin on Sat Dec 16 01:46:50 GMT 2023
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CAS
941690-55-7
Created by admin on Sat Dec 16 01:46:50 GMT 2023 , Edited by admin on Sat Dec 16 01:46:50 GMT 2023
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WIKIPEDIA
AZD-2624
Created by admin on Sat Dec 16 01:46:50 GMT 2023 , Edited by admin on Sat Dec 16 01:46:50 GMT 2023
PRIMARY
CHEBI
140478
Created by admin on Sat Dec 16 01:46:50 GMT 2023 , Edited by admin on Sat Dec 16 01:46:50 GMT 2023
PRIMARY