DELEOBUVIR

Details

Stereochemistry	ACHIRAL
Molecular Formula	C34H33BrN6O3
Molecular Weight	653.568
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1C2=CC(\C=C\C(O)=O)=CC=C2N=C1C3(CCC3)NC(=O)C4=CC5=C(C=C4)C(C6CCCC6)=C(N5C)C7=NC=C(Br)C=N7

InChI

InChIKey=BMAIGAHXAJEULY-UKTHLTGXSA-N

InChI=1S/C34H33BrN6O3/c1-40-26-17-22(10-11-24(26)29(21-6-3-4-7-21)30(40)31-36-18-23(35)19-37-31)32(44)39-34(14-5-15-34)33-38-25-12-8-20(9-13-28(42)43)16-27(25)41(33)2/h8-13,16-19,21H,3-7,14-15H2,1-2H3,(H,39,44)(H,42,43)/b13-9+

HIDE SMILES / InChI

Molecular Formula	C34H33BrN6O3
Molecular Weight	653.568
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/24735613 | http://www.natap.org/2014/HCV/011714_02.htm

Deleobuvir is a drug for the treatment of Hepatitis C, developed by Boehringer Ingelheim. Deleobuvir is a non-nucleoside HCV NS5B polymerase inhibitor that reversibly and noncovalently binds to the thumb pocket 1. It has shown rapid and strong antiviral activity when administered in combination with peginterferon-a2a and ribavirin. In 2014 Boehringer Ingelheim decided to halt further development of deleobuvir because preliminary analysis of phase 3 clinical trials indicated a low efficacy of the drug.

Originator

Approval Year

PubMed

Title	Date	PubMed
Current race in the development of DAAs (direct-acting antivirals) against HCV.	2014 Jun 15	24735613

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:32:31 GMT 2023` Edited by `admin` on `Sat Dec 16 01:32:31 GMT 2023`
Record UNII	58BU988K90
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

DELEOBUVIR

Official Name

English

2-PROPENOIC ACID, 3-(2-(1-(((2-(5-BROMO-2-PYRIMIDINYL)-3-CYCLOPENTYL-1-METHYL-1H-INDOL-6-YL)CARBONYL)AMINO)CYCLOBUTYL)-1-METHYL-1H-BENZIMIDAZOL-6-YL)-, (2E)-

Systematic Name

English

deleobuvir [INN]

Common Name

English

(E)-3-(2-(1-(((2-(5-BROMOPYRIMIDIN-2-YL)-3-CYCLOPENTYL-1-METHYL-1H-INDOL-6-YL)CARBONYL)AMINO)CYCLOBUTYL)-1-METHYL-1H-BENZIMIDAZOL-6-YL)-2-PROPENOIC ACID

Systematic Name

English

DELEOBUVIR [USAN]

Common Name

English

BI-207127

Code

English

Deleobuvir [WHO-DD]

Common Name

English

(2E)-3-(2-(1-(2-(5-BROMOPYRIMIDIN-2-YL)-3-CYCLOPENTYL-1-METHYL-1H-INDOLE-6-CARBOXAMIDO)CYCLOBUTYL(-1-METHYL-1H-BENZIMIDAZOL-6-YL)PROP-2-ENOIC ACID

Systematic Name

English

BI 207127

Code

English

Code System Code Type Description

WIKIPEDIA

Deleobuvir