General Information of Drug (ID: DMC6EFI)

Drug Name
Elinzanetant
Synonyms
Elinzanetant; 929046-33-3; NT-814; UNII-NZW2BOW35N; BAY3427080; Elinzanetant [INN]; Elinzanetant [USAN]; NZW2BOW35N; BAY-3427080; N-[6-[(7S,9aS)-7-(hydroxymethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-4-(4-fluoro-2-methylphenyl)pyridin-3-yl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide; 2-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-N-(4-(4-FLUORO-2-METHYLPHENYL)-6-((7S,9AS)-7-(HYDROXYMETHYL)HEXAHYDROPYRAZINO(2,1-C)(1,4)OXAZIN-8(1H)-YL)-3-PYRIDINYL)-N,2-DIMETHYLPROPANAMIDE; 2-[3,5-Bis(trifluoromethyl)phenyl]-N-{4-(4-fluoro-2-methylphenyl)-6-[(7S,9aS)-7-(hydroxymethyl)hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]-3-pyridinyl}-N,2-dimethylpropanamide; Elinzanetant [USAN:INN]; ELINZANETANT [WHO-DD]; SCHEMBL303180; CHEMBL4802157; GTPL12691; DTXSID101337049; NT814; EX-A6225; WHO 10952; AKOS040756249; Compound A [WO2021094247A1]; MS-31047; Example 34 [WO2007028654A1]; HY-109171; CS-0116361; 2-[3,5-bis(trifluoromethyl)phenyl]-N-{4-(4-fluoro-2-methylphenyl)-6-[(7S,9aS)-7-(hydroxymethyl)hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]pyridin-3-yl}-N,2-dimethylpropanamide; BENZAMIDE, 3-(5-METHYL-2-TBENZENEACETAMIDE, N-(4-(4-FLUORO-2-METHYLPHENYL)-6-((7S,9AS)-HEXAHYDRO-7-(HYDROXYMETHYL)PYRAZINO(2,1-C)(1,4)OXAZIN-8(1H)-YL)-3-PYRIDINYL)-N,.ALPHA.,.ALPHA.-TRIMETHYL-3,5-BIS(TRIFLUOROMETHYL)-; Benzamide, 3-(5-methyl-2-tbenzeneacetamide, N-(4-(4-fluoro-2-methylphenyl)-6-((7S,9aS)-hexahydro-7-(hydroxymethyl)pyrazino(2,1-C)(1,4)oxazin-8(1H)-yl)-3-pyridinyl)-N,alpha,alpha-trimethyl-3,5-bis(trifluoromethyl)-
Indication
Disease Entry ICD 11 Status REF
Hot flushes GA30 Phase 3 [1]
Drug Type
Small molecule
Structure
3D MOL 2D MOL
Chemical Identifiers
Formula
C33H35F7N4O3
Canonical SMILES
CC1=C(C=CC(=C1)F)C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CC5COCCN5CC4CO
InChI
InChI=1S/C33H35F7N4O3/c1-19-9-23(34)5-6-26(19)27-13-29(44-16-25-18-47-8-7-43(25)15-24(44)17-45)41-14-28(27)42(4)30(46)31(2,3)20-10-21(32(35,36)37)12-22(11-20)33(38,39)40/h5-6,9-14,24-25,45H,7-8,15-18H2,1-4H3/t24-,25-/m0/s1
InChIKey
DWRIJNIPBUFCQS-DQEYMECFSA-N
Cross-matching ID
PubChem CID
16063568
TTD ID
DKZ07O

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Neuromedin-K receptor (TACR3) TTBPGLU NK3R_HUMAN Antagonist [2]
Substance-P receptor (TACR1) TTZPO1L NK1R_HUMAN Antagonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Hot flushes
ICD Disease Classification GA30
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Substance-P receptor (TACR1) DTT TACR1 7.40E-01 0.02 0.07
Substance-P receptor (TACR1) DTT TACR1 8.57E-01 -0.02 -0.18
Neuromedin-K receptor (TACR3) DTT TACR3 3.59E-01 0.04 0.12
Neuromedin-K receptor (TACR3) DTT TACR3 5.19E-01 -4.10E-03 -0.03
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 ClinicalTrials.gov (NCT05099159) A Double-blind, Randomized, Placebo-controlled Multicenter Study to Investigate Efficacy and Safety of Elinzanetant for the Treatment of Vasomotor Symptoms Over 26 Weeks in Postmenopausal Women. U.S.National Institutes of Health.
2 Elinzanetant (NT-814), a Neurokinin 1,3 Receptor Antagonist, Reduces Estradiol and Progesterone in Healthy Women. J Clin Endocrinol Metab. 2021 Jul 13;106(8):e3221-e3234.