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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H28F4N4O4
Molecular Weight 572.5506
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LETERMOVIR

SMILES

COC1=CC(=CC=C1)N2CCN(CC2)C3=NC4=C(C=CC=C4F)[C@H](CC(O)=O)N3C5=CC(=CC=C5OC)C(F)(F)F

InChI

InChIKey=FWYSMLBETOMXAG-QHCPKHFHSA-N
InChI=1S/C29H28F4N4O4/c1-40-20-6-3-5-19(16-20)35-11-13-36(14-12-35)28-34-27-21(7-4-8-22(27)30)23(17-26(38)39)37(28)24-15-18(29(31,32)33)9-10-25(24)41-2/h3-10,15-16,23H,11-14,17H2,1-2H3,(H,38,39)/t23-/m0/s1

HIDE SMILES / InChI
Molecular Formula C29H28F4N4O4
Molecular Weight 572.5506
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
123738
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:21:50 UTC 2023
Edited
by admin
on Fri Dec 15 19:21:50 UTC 2023
Record UNII
1H09Y5WO1F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LETERMOVIR
INN   USAN   WHO-DD  
INN   USAN  
Official Name English
AIC246
Code English
(4S)-2-{8-Fluoro-2-[4-(3-methoxyphenyl)piperazin-1-yl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-4-yl}acetic acid
Systematic Name English
4-QUINAZOLINEACETIC ACID, 8-FLUORO-3,4-DIHYDRO-2-(4-(3-METHOXYPHENYL)-1-PIPERAZINYL)-3-(2-METHOXY-5-(TRIFLUOROMETHYL)PHENYL)-, (4S)-
Common Name English
MK-8228
Code English
2-((4S)-8-FLUORO-2-(4-(3-METHOXYPHENYL)PIPERAZIN-1-YL)-3-(2-METHOXY-5-(TRIFLUOROMETHYL)PHENYL)-4H-QUINAZOLIN-4-YL)ACETIC ACID
Systematic Name English
AIC-246
Code English
LETERMOVIR [JAN]
Common Name English
Letermovir [WHO-DD]
Common Name English
letermovir [INN]
Common Name English
LETERMOVIR [USAN]
Common Name English
PREVYMIS
Brand Name English
LETERMOVIR [MI]
Common Name English
LETERMOVIR [ORANGE BOOK]
Common Name English
Classification Tree Code System Code
WHO-ATC J05AX18
Created by admin on Fri Dec 15 19:21:50 UTC 2023 , Edited by admin on Fri Dec 15 19:21:50 UTC 2023
NCI_THESAURUS C281
Created by admin on Fri Dec 15 19:21:50 UTC 2023 , Edited by admin on Fri Dec 15 19:21:50 UTC 2023
EU-Orphan Drug EU/3/12/999
Created by admin on Fri Dec 15 19:21:50 UTC 2023 , Edited by admin on Fri Dec 15 19:21:50 UTC 2023
NDF-RT N0000193800
Created by admin on Fri Dec 15 19:21:50 UTC 2023 , Edited by admin on Fri Dec 15 19:21:50 UTC 2023
FDA ORPHAN DRUG 340211
Created by admin on Fri Dec 15 19:21:50 UTC 2023 , Edited by admin on Fri Dec 15 19:21:50 UTC 2023
Code System Code Type Description
DRUG CENTRAL
5262
Created by admin on Fri Dec 15 19:21:50 UTC 2023 , Edited by admin on Fri Dec 15 19:21:50 UTC 2023
PRIMARY
LACTMED
Letermovir
Created by admin on Fri Dec 15 19:21:50 UTC 2023 , Edited by admin on Fri Dec 15 19:21:50 UTC 2023
PRIMARY
MERCK INDEX
m12055
Created by admin on Fri Dec 15 19:21:50 UTC 2023 , Edited by admin on Fri Dec 15 19:21:50 UTC 2023
PRIMARY
DRUG BANK
DB12070
Created by admin on Fri Dec 15 19:21:50 UTC 2023 , Edited by admin on Fri Dec 15 19:21:50 UTC 2023
PRIMARY
SMS_ID
100000140976
Created by admin on Fri Dec 15 19:21:50 UTC 2023 , Edited by admin on Fri Dec 15 19:21:50 UTC 2023
PRIMARY
WIKIPEDIA
LETERMOVIR
Created by admin on Fri Dec 15 19:21:50 UTC 2023 , Edited by admin on Fri Dec 15 19:21:50 UTC 2023
PRIMARY
CAS
917389-32-3
Created by admin on Fri Dec 15 19:21:50 UTC 2023 , Edited by admin on Fri Dec 15 19:21:50 UTC 2023
PRIMARY
ChEMBL
CHEMBL1241951
Created by admin on Fri Dec 15 19:21:50 UTC 2023 , Edited by admin on Fri Dec 15 19:21:50 UTC 2023
PRIMARY
EPA CompTox
DTXSID40238683
Created by admin on Fri Dec 15 19:21:50 UTC 2023 , Edited by admin on Fri Dec 15 19:21:50 UTC 2023
PRIMARY
EVMPD
SUB90389
Created by admin on Fri Dec 15 19:21:50 UTC 2023 , Edited by admin on Fri Dec 15 19:21:50 UTC 2023
PRIMARY
FDA UNII
1H09Y5WO1F
Created by admin on Fri Dec 15 19:21:50 UTC 2023 , Edited by admin on Fri Dec 15 19:21:50 UTC 2023
PRIMARY
USAN
BC-73
Created by admin on Fri Dec 15 19:21:50 UTC 2023 , Edited by admin on Fri Dec 15 19:21:50 UTC 2023
PRIMARY
DAILYMED
1H09Y5WO1F
Created by admin on Fri Dec 15 19:21:50 UTC 2023 , Edited by admin on Fri Dec 15 19:21:50 UTC 2023
PRIMARY
PUBCHEM
45138674
Created by admin on Fri Dec 15 19:21:50 UTC 2023 , Edited by admin on Fri Dec 15 19:21:50 UTC 2023
PRIMARY
RXCUI
1988648
Created by admin on Fri Dec 15 19:21:50 UTC 2023 , Edited by admin on Fri Dec 15 19:21:50 UTC 2023
PRIMARY
NCI_THESAURUS
C115099
Created by admin on Fri Dec 15 19:21:50 UTC 2023 , Edited by admin on Fri Dec 15 19:21:50 UTC 2023
PRIMARY
INN
9384
Created by admin on Fri Dec 15 19:21:50 UTC 2023 , Edited by admin on Fri Dec 15 19:21:50 UTC 2023
PRIMARY
Related Record Type Details
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CYTOCHROME P450 3A4
METABOLIC ENZYME -> INHIBITOR
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MULTIDRUG RESISTANCE PROTEIN 1
TRANSPORTER -> SUBSTRATE
CYTOCHROME P450 2J2
METABOLIC ENZYME -> SUBSTRATE
MINOR
URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 1A3
TRANSPORTER -> SUBSTRATE
MINOR
URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 1A1
TRANSPORTER -> SUBSTRATE
MINOR
CYTOCHROME P450 2D6
METABOLIC ENZYME -> SUBSTRATE
MINOR
ATP-BINDING CASSETTE SUB-FAMILY G MEMBER 2
TRANSPORTER -> INHIBITOR
CYTOCHROME P450 3A4
METABOLIC ENZYME -> SUBSTRATE
MINOR
PLASMA PROTEIN FRACTION (HUMAN)
BINDER->LIGAND
BINDING
MRP-2
TRANSPORTER -> INHIBITOR
CYTOCHROME P450 2B6
METABOLIC ENZYME -> INDUCER
CYTOCHROME P450 3A4
METABOLIC ENZYME -> INDUCER
OATP-8
TRANSPORTER -> INHIBITOR
Structure of LETERMOVIR
EXCRETED UNCHANGED
AMOUNT EXCRETED
FECAL
OATP-8
TRANSPORTER -> SUBSTRATE
OATP1B1
TRANSPORTER -> SUBSTRATE
BSEP
TRANSPORTER -> INHIBITOR
Related Record Type Details
Structure of (S)-2-(8-FLUORO-3-(2-METHOXY-5-(TRIFLUOROMETHYL)PHENYL)-2-(PIPERAZIN-1-YL)-3,4-DIHYDROQUINAZOLIN-4-YL)ACETIC ACID
METABOLITE -> PARENT
Structure of (S)-2-(8-FLUORO-2-(4-(3-HYDROXYPHENYL)PIPERAZIN-1-YL)-3-(2-METHOXY-5-(TRIFLUOROMETHYL)PHENYL)-3,4-DIHYDROQUINAZOLIN-4-YL)ACETIC ACID
METABOLITE -> PARENT
Related Record Type Details
Structure of LETERMOVIR
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Tmax PHARMACOKINETIC
Biological Half-life PHARMACOKINETIC INTRAVENOUS ADMINISTRATION

DOSE

blood-to-plasma ratio PHARMACOKINETIC
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