dasabuvir   Click here for help

GtoPdb Ligand ID: 11270

Synonyms: ABT-333 | ABT333 | Exviera®
Approved drug
dasabuvir is an approved drug (EMA (2019))
Compound class: Synthetic organic
Comment: Dasabuvir is a non-nucleoside inhibitor of the hepatitis C virus (HCV) RNA-dependent RNA polymerase NS5B [1]. It blocks viral RNA replication.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 118.12
Molecular weight 493.17
XLogP 5.82
No. Lipinski's rules broken 1
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Canonical SMILES COc1c(cc(cc1C(C)(C)C)n1ccc(=O)[nH]c1=O)c1ccc2c(c1)ccc(c2)NS(=O)(=O)C
Isomeric SMILES COc1c(cc(cc1C(C)(C)C)n1ccc(=O)[nH]c1=O)c1ccc2c(c1)ccc(c2)NS(=O)(=O)C
InChI InChI=1S/C26H27N3O5S/c1-26(2,3)22-15-20(29-11-10-23(30)27-25(29)31)14-21(24(22)34-4)18-7-6-17-13-19(28-35(5,32)33)9-8-16(17)12-18/h6-15,28H,1-5H3,(H,27,30,31)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (EMA (2019))
WHO Essential Medicine WHO Essential Medicines List (EML) (22nd List, 2021). Access PDF version.
Click to view more information about the WHO Model Lists of Essential Medicines.
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
9741 dasabuvir
Synonyms Click here for help
ABT-333 | ABT333 | Exviera®
Database Links Click here for help
CAS Registry No. 1132935-63-7 (source: WHO INN record)
ChEMBL Ligand CHEMBL3137312
DrugBank Ligand DB09183
DrugCentral Ligand 4914
GtoPdb PubChem SID 434321705
PubChem CID 56640146
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UniChem Compound Search for chemical match using the InChIKey NBRBXGKOEOGLOI-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey NBRBXGKOEOGLOI-UHFFFAOYSA-N