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Details

Stereochemistry ABSOLUTE
Molecular Formula C38H46F4N6O9S
Molecular Weight 838.865
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GLECAPREVIR

SMILES

[H][C@@]12C[C@H](N(C1)C(=O)[C@@H](NC(=O)O[C@]3([H])CCC[C@@]3([H])OC\C=C\C(F)(F)C4=NC5=CC=CC=C5N=C4O2)C(C)(C)C)C(=O)N[C@@]6(C[C@H]6C(F)F)C(=O)NS(=O)(=O)C7(C)CC7

InChI

InChIKey=MLSQGNCUYAMAHD-ITNVBOSISA-N
InChI=1S/C38H46F4N6O9S/c1-35(2,3)28-32(50)48-19-20(17-24(48)30(49)46-37(18-21(37)29(39)40)33(51)47-58(53,54)36(4)14-15-36)56-31-27(43-22-9-5-6-10-23(22)44-31)38(41,42)13-8-16-55-25-11-7-12-26(25)57-34(52)45-28/h5-6,8-10,13,20-21,24-26,28-29H,7,11-12,14-19H2,1-4H3,(H,45,52)(H,46,49)(H,47,51)/b13-8+/t20-,21+,24+,25-,26-,28-,37-/m1/s1

HIDE SMILES / InChI
Molecular Formula C38H46F4N6O9S
Molecular Weight 838.865
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:15:19 UTC 2023
Edited
by admin
on Sat Dec 16 08:15:19 UTC 2023
Record UNII
K6BUU8J72P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GLECAPREVIR
INN   USAN   WHO-DD  
USAN   INN  
Official Name English
ABT-493
Code English
A-12825760
Code English
GLECAPREVIR [ORANGE BOOK]
Common Name English
GLECAPREVIR [MI]
Common Name English
MAVYRET COMPONENT GLECAPREVIR
Common Name English
glecaprevir [INN]
Common Name English
Glecaprevir [WHO-DD]
Common Name English
GLECAPREVIR [USAN]
Common Name English
A-1282576
Code English
A-1282576.0
Code English
Classification Tree Code System Code
FDA ORPHAN DRUG 550516
Created by admin on Sat Dec 16 08:15:19 UTC 2023 , Edited by admin on Sat Dec 16 08:15:19 UTC 2023
WHO-ATC J05AP57
Created by admin on Sat Dec 16 08:15:19 UTC 2023 , Edited by admin on Sat Dec 16 08:15:19 UTC 2023
NDF-RT N0000182639
Created by admin on Sat Dec 16 08:15:19 UTC 2023 , Edited by admin on Sat Dec 16 08:15:19 UTC 2023
Code System Code Type Description
ChEMBL
CHEMBL3545363
Created by admin on Sat Dec 16 08:15:19 UTC 2023 , Edited by admin on Sat Dec 16 08:15:19 UTC 2023
PRIMARY
MERCK INDEX
m12026
Created by admin on Sat Dec 16 08:15:19 UTC 2023 , Edited by admin on Sat Dec 16 08:15:19 UTC 2023
PRIMARY
WIKIPEDIA
Glecaprevir
Created by admin on Sat Dec 16 08:15:19 UTC 2023 , Edited by admin on Sat Dec 16 08:15:19 UTC 2023
PRIMARY
USAN
CD-34
Created by admin on Sat Dec 16 08:15:19 UTC 2023 , Edited by admin on Sat Dec 16 08:15:19 UTC 2023
PRIMARY
FDA UNII
K6BUU8J72P
Created by admin on Sat Dec 16 08:15:19 UTC 2023 , Edited by admin on Sat Dec 16 08:15:19 UTC 2023
PRIMARY
CAS
1365970-03-1
Created by admin on Sat Dec 16 08:15:19 UTC 2023 , Edited by admin on Sat Dec 16 08:15:19 UTC 2023
PRIMARY
PUBCHEM
66828839
Created by admin on Sat Dec 16 08:15:19 UTC 2023 , Edited by admin on Sat Dec 16 08:15:19 UTC 2023
PRIMARY
EPA CompTox
DTXSID901027945
Created by admin on Sat Dec 16 08:15:19 UTC 2023 , Edited by admin on Sat Dec 16 08:15:19 UTC 2023
PRIMARY
DRUG CENTRAL
5243
Created by admin on Sat Dec 16 08:15:19 UTC 2023 , Edited by admin on Sat Dec 16 08:15:19 UTC 2023
PRIMARY
INN
10261
Created by admin on Sat Dec 16 08:15:19 UTC 2023 , Edited by admin on Sat Dec 16 08:15:19 UTC 2023
PRIMARY
NCI_THESAURUS
C170029
Created by admin on Sat Dec 16 08:15:19 UTC 2023 , Edited by admin on Sat Dec 16 08:15:19 UTC 2023
PRIMARY
SMS_ID
100000166695
Created by admin on Sat Dec 16 08:15:19 UTC 2023 , Edited by admin on Sat Dec 16 08:15:19 UTC 2023
PRIMARY
CAS
1838571-99-5
Created by admin on Sat Dec 16 08:15:19 UTC 2023 , Edited by admin on Sat Dec 16 08:15:19 UTC 2023
SUPERSEDED
EVMPD
SUB180954
Created by admin on Sat Dec 16 08:15:19 UTC 2023 , Edited by admin on Sat Dec 16 08:15:19 UTC 2023
PRIMARY
LACTMED
Glecaprevir
Created by admin on Sat Dec 16 08:15:19 UTC 2023 , Edited by admin on Sat Dec 16 08:15:19 UTC 2023
PRIMARY
DAILYMED
K6BUU8J72P
Created by admin on Sat Dec 16 08:15:19 UTC 2023 , Edited by admin on Sat Dec 16 08:15:19 UTC 2023
PRIMARY
DRUG BANK
DB13879
Created by admin on Sat Dec 16 08:15:19 UTC 2023 , Edited by admin on Sat Dec 16 08:15:19 UTC 2023
PRIMARY
RXCUI
1940635
Created by admin on Sat Dec 16 08:15:19 UTC 2023 , Edited by admin on Sat Dec 16 08:15:19 UTC 2023
PRIMARY
Related Record Type Details
OATP-8
TRANSPORTER -> INHIBITOR
CYTOCHROME P450 3A4
METABOLIC ENZYME -> SUBSTRATE
MAJOR
MULTIDRUG RESISTANCE PROTEIN 1
TRANSPORTER -> SUBSTRATE
PLASMA PROTEIN FRACTION (HUMAN)
BINDER->LIGAND
GLE is approximately 97.5% bound to human plasma proteins independent of concentration from 0.1 to 30 μM (800 to 25,200 ng/mL).
BINDING
HCV NS3-4A SERINE PROTEASE
TARGET -> INHIBITOR
ABT-493 demonstrates comparable acti vity against HCV replicons containing NS3 genes from genotype 1a, 1b, 2a, 3a, 4a, and 6a
EC50
OATP1B1
TRANSPORTER -> INHIBITOR
CYTOCHROME P450 2C8
METABOLIC ENZYME -> SUBSTRATE
Structure of GLECAPREVIR HYDRATE
SALT/SOLVATE -> PARENT
CYTOCHROME P450 2C9
METABOLIC ENZYME -> SUBSTRATE
CYTOCHROME P450 3A5
METABOLIC ENZYME -> SUBSTRATE
MAJOR
CYTOCHROME P450 2D6
METABOLIC ENZYME -> SUBSTRATE
ATP-BINDING CASSETTE SUB-FAMILY G MEMBER 2
TRANSPORTER -> SUBSTRATE
OATP1B1
TRANSPORTER -> SUBSTRATE
Structure of GLECAPREVIR HYDRATE
SOLVATE->ANHYDROUS
ATP-BINDING CASSETTE SUB-FAMILY G MEMBER 2
TRANSPORTER -> INHIBITOR
MULTIDRUG RESISTANCE PROTEIN 1
TRANSPORTER -> INHIBITOR
OATP-8
TRANSPORTER -> SUBSTRATE
Related Record Type Details
Structure of 7-HYDROXYETHYL-GLECAPREVIR
METABOLITE -> PARENT
Structure of DES-(METHYLCYCLOPROPYLSULFONAMIDE)-GLECAPREVIR
METABOLITE -> PARENT
Structure of 1-METHYLCYCLOPROPANE-1-SULFONAMIDE
METABOLITE -> PARENT
Structure of 20-DESDIFLUORO-20-OXO-GLECAPREVIR
METABOLITE -> PARENT
Related Record Type Details
Structure of GLECAPREVIR
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Biological Half-life PHARMACOKINETIC
Volume of Distribution PHARMACOKINETIC
blood-to-plasma ratio PHARMACOKINETIC
Tmax PHARMACOKINETIC
NIH
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