U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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 of DELEOBUVIR

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
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.

Approval Year

PubMed

PubMed

TitleDatePubMed
Patents

Patents

Name Type Language
DELEOBUVIR
INN   USAN   WHO-DD  
INN   USAN  
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
Created by admin on Sat Dec 16 01:32:31 GMT 2023 , Edited by admin on Sat Dec 16 01:32:31 GMT 2023
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ChEMBL
CHEMBL2403318
Created by admin on Sat Dec 16 01:32:31 GMT 2023 , Edited by admin on Sat Dec 16 01:32:31 GMT 2023
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EPA CompTox
DTXSID40235516
Created by admin on Sat Dec 16 01:32:31 GMT 2023 , Edited by admin on Sat Dec 16 01:32:31 GMT 2023
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EVMPD
SUB126286
Created by admin on Sat Dec 16 01:32:31 GMT 2023 , Edited by admin on Sat Dec 16 01:32:31 GMT 2023
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DRUG BANK
DB14850
Created by admin on Sat Dec 16 01:32:31 GMT 2023 , Edited by admin on Sat Dec 16 01:32:31 GMT 2023
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CAS
1221574-24-8
Created by admin on Sat Dec 16 01:32:31 GMT 2023 , Edited by admin on Sat Dec 16 01:32:31 GMT 2023
SUPERSEDED
INN
9656
Created by admin on Sat Dec 16 01:32:31 GMT 2023 , Edited by admin on Sat Dec 16 01:32:31 GMT 2023
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PUBCHEM
56948249
Created by admin on Sat Dec 16 01:32:31 GMT 2023 , Edited by admin on Sat Dec 16 01:32:31 GMT 2023
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CAS
863884-77-9
Created by admin on Sat Dec 16 01:32:31 GMT 2023 , Edited by admin on Sat Dec 16 01:32:31 GMT 2023
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NCI_THESAURUS
C166826
Created by admin on Sat Dec 16 01:32:31 GMT 2023 , Edited by admin on Sat Dec 16 01:32:31 GMT 2023
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USAN
BC-02
Created by admin on Sat Dec 16 01:32:31 GMT 2023 , Edited by admin on Sat Dec 16 01:32:31 GMT 2023
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SMS_ID
100000151870
Created by admin on Sat Dec 16 01:32:31 GMT 2023 , Edited by admin on Sat Dec 16 01:32:31 GMT 2023
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FDA UNII
58BU988K90
Created by admin on Sat Dec 16 01:32:31 GMT 2023 , Edited by admin on Sat Dec 16 01:32:31 GMT 2023
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