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Details

Stereochemistry ABSOLUTE
Molecular Formula C60H72N8O6
Molecular Weight 1001.2637
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ODALASVIR

SMILES

[H][C@]12C[C@H](N(C(=O)[C@@H](NC(=O)OC)C(C)C)[C@@]1([H])CCCC2)C3=NC4=CC=C(C=C4N3)C5=CC6=CC=C5CCC7=CC=C(CC6)C(=C7)C8=CC=C9N=C(NC9=C8)[C@@H]%10C[C@]%11([H])CCCC[C@]%11([H])N%10C(=O)[C@@H](NC(=O)OC)C(C)C

InChI

InChIKey=LSYBRGMTRKJATA-IVEWBXRVSA-N
InChI=1S/C60H72N8O6/c1-33(2)53(65-59(71)73-5)57(69)67-49-13-9-7-11-41(49)31-51(67)55-61-45-25-23-39(29-47(45)63-55)43-27-35-15-19-37(43)21-17-36-16-20-38(22-18-35)44(28-36)40-24-26-46-48(30-40)64-56(62-46)52-32-42-12-8-10-14-50(42)68(52)58(70)54(34(3)4)66-60(72)74-6/h15-16,19-20,23-30,33-34,41-42,49-54H,7-14,17-18,21-22,31-32H2,1-6H3,(H,61,63)(H,62,64)(H,65,71)(H,66,72)/t41-,42-,49-,50-,51-,52-,53-,54-/m0/s1

HIDE SMILES / InChI

Molecular Formula C60H72N8O6
Molecular Weight 1001.2637
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Odalasvir (previously known as ACH-3102) is a second-generation inhibitor of the nonstructural protein 5A (NS5A) of hepatitis C virus (HCV). It was reported that HCV NS5A is associated with interferon signaling related to HCV replication and hepatocarcinogenesis. HCV NS5A inhibitors efficiently inhibited HCV replication. It is known that HCV is a leading cause of hepatocellular carcinoma (HCC) in Japan and is one of the major causes of end-stage liver disease, HCC, and liver transplantation in the United States and Europe. Odalasvir completed phase II clinical trial, where was evaluated efficacy and safety of its combinations with AL-335, and simeprevir in the treatment of chronic hepatitis C Infection.

Approval Year

PubMed

PubMed

TitleDatePubMed
Meeting report: 26th International Conference on Antiviral Research.
2013 Oct
Short-Duration AL-335, Odalasvir, With or Without Simeprevir, in Patients With HCV GT1 or 3 Infection Without Cirrhosis.
2018 Dec
Evaluation of antiviral effects of novel NS5A inhibitors in hepatitis C virus cell culture system with full-genome infectious clones.
2018 Oct
Patents

Patents

Sample Use Guides

Odalasvir 25 mg tablet will be administered once daily.
Route of Administration: Oral
Substance Class Chemical
Created
by admin
on Sat Dec 16 09:45:15 UTC 2023
Edited
by admin
on Sat Dec 16 09:45:15 UTC 2023
Record UNII
OVR52K7BDW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ODALASVIR
INN   USAN   WHO-DD  
USAN   INN  
Official Name English
ODALASVIR [USAN]
Common Name English
DIMETHYL N,N'-(1,4(1,4)-DIBENZENACYCLOHEXAPHANE-12,42-DIYLBIS(1HBENZIMIDAZOLE-5,2-DIYL((2S,3AS,7AS)-OCTAHYDRO-1H-INDOLE-2,1-DIYL)((2S)-3-METHYL-1-OXOBUTAN-1,2-DIYL)))BISCARBAMATE
Systematic Name English
Odalasvir [WHO-DD]
Common Name English
ACH-3102
Code English
odalasvir [INN]
Common Name English
ACH-0143102
Code English
CARBAMIC ACID, N,N'-(TRICYCLO(8.2.2.24,7)HEXADECA-4,6,10,12,13,15-HEXAENE-5,11-DIYLBIS(1H-BENZIMIDAZOLE-6,2-DIYL((2S,3AS,7AS)-OCTAHYDRO-1H-INDOLE-2,1-DIYL)((1S)-1-(1-METHYLETHYL)-2-OXO-2,1-ETHANEDIYL)))BIS-, C,C'-DIMETHYL ESTER
Systematic Name English
Code System Code Type Description
PUBCHEM
71474517
Created by admin on Sat Dec 16 09:45:15 UTC 2023 , Edited by admin on Sat Dec 16 09:45:15 UTC 2023
PRIMARY
USAN
CD-120
Created by admin on Sat Dec 16 09:45:15 UTC 2023 , Edited by admin on Sat Dec 16 09:45:15 UTC 2023
PRIMARY
EVMPD
SUB179997
Created by admin on Sat Dec 16 09:45:15 UTC 2023 , Edited by admin on Sat Dec 16 09:45:15 UTC 2023
PRIMARY
SMS_ID
100000166047
Created by admin on Sat Dec 16 09:45:15 UTC 2023 , Edited by admin on Sat Dec 16 09:45:15 UTC 2023
PRIMARY
INN
9924
Created by admin on Sat Dec 16 09:45:15 UTC 2023 , Edited by admin on Sat Dec 16 09:45:15 UTC 2023
PRIMARY
FDA UNII
OVR52K7BDW
Created by admin on Sat Dec 16 09:45:15 UTC 2023 , Edited by admin on Sat Dec 16 09:45:15 UTC 2023
PRIMARY
DRUG BANK
DB13041
Created by admin on Sat Dec 16 09:45:15 UTC 2023 , Edited by admin on Sat Dec 16 09:45:15 UTC 2023
PRIMARY
NCI_THESAURUS
C174815
Created by admin on Sat Dec 16 09:45:15 UTC 2023 , Edited by admin on Sat Dec 16 09:45:15 UTC 2023
PRIMARY
ChEMBL
CHEMBL3544977
Created by admin on Sat Dec 16 09:45:15 UTC 2023 , Edited by admin on Sat Dec 16 09:45:15 UTC 2023
PRIMARY
WIKIPEDIA
ACH-3102
Created by admin on Sat Dec 16 09:45:15 UTC 2023 , Edited by admin on Sat Dec 16 09:45:15 UTC 2023
PRIMARY
EPA CompTox
DTXSID401032258
Created by admin on Sat Dec 16 09:45:15 UTC 2023 , Edited by admin on Sat Dec 16 09:45:15 UTC 2023
PRIMARY
CAS
1415119-52-6
Created by admin on Sat Dec 16 09:45:15 UTC 2023 , Edited by admin on Sat Dec 16 09:45:15 UTC 2023
PRIMARY
Related Record Type Details
SOLVATE->ANHYDROUS
TARGET -> INHIBITOR
TARGET ORGANISM->INHIBITOR
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY