Chemical Information
Antiviral agent ID	DrugRepV_8126
Antiviral agent name	4-{[4-({2-amino-4-[(1E)-2-cyanoeth-1-en-1-yl]-6-methylphenyl}amino)-7-chloroquinazolin-2-yl]amino}benzonitrile
IUPAC Name	4-{[4-({2-amino-4-[(1E)-2-cyanoeth-1-en-1-yl]-6-methylphenyl}amino)-7-chloroquinazolin-2-yl]amino}benzonitrile
SMILES (canonical)	CC1=C(NC2=NC(NC3=CC=C(C=C3)C#N)=NC3=CC(Cl)=CC=C23)C(N)=CC(\C=C\C#N)=C1
Molecular Formula	C25H18ClN7
Molecular Weight (g/mol)	451.92
Common Name	4-{[4-({2-amino-4-[(1E)-2-cyanoeth-1-en-1-yl]-6-methylphenyl}amino)-7-chloroquinazolin-2-yl]amino}be
Structural Information
Clinical Information
Biological Information
Secondary Indication	Human immunodeficiency virus (HIV) 1 K103N
Secondary Indication (Approaches)	Experimental
Secondary Indication (Methods)	In-vitro
Secondary Indication (Model system) [cell lines/ animal models]	MT-4 Cells
Secondary Indication (Mode of drug delivery)	Culture
Secondary Indication (Drug concentration)	45.5 ± 4 nM
Secondary Indication (Change)	Decrease
Secondary Indication (Type of Inhibition)	EC50 [ 50 % ]
Reference	Han S, Sang Y, Wu Y, Tao Y, Pannecouque C, De Clercq E, Zhuang C, Chen FE..Molecular Hybridization-Inspired Optimization of Diarylbenzopyrimidines as HIV-1 Nonnucleoside Reverse Transcriptase Inhibitors with Improved Activity against K103N and E138K Mutants and Pharmacokinetic Profiles..ACS Infect Dis. 2020 May 8;6(5):787-801. doi: 10.1021/acsinfecdis.9b00229. PMID:31599568
Comment	NA