velpatasvir   Click here for help

GtoPdb Ligand ID: 11269

Synonyms: Epclusa® (sofosbuvir + velpatasvir) | GS-5816 | GS5816 | Vosevi® (sofosbuvir + velpatasvir + voxilaprevi)
Approved drug
velpatasvir is an approved drug (EMA & FDA (2016))
Compound class: Synthetic organic
Comment: Velpatasvir is a direct-acting inhibitor of hepatitis C virus (HCV) non-structural protein 5A (NS5A) replication complex [2]. It targets viral RNA replication and viron assembly.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 13
Hydrogen bond donors 4
Rotatable bonds 17
Topological polar surface area 193.1
Molecular weight 882.41
XLogP 5.92
No. Lipinski's rules broken 3
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Canonical SMILES COC[C@H]1C[C@H](N(C1)C(=O)[C@@H](c1ccccc1)NC(=O)OC)c1ncc([nH]1)c1ccc2c(c1)COc1c2cc2ccc3c(c2c1)nc([nH]3)[C@@H]1CC[C@@H](N1C(=O)[C@H](C(C)C)NC(=O)OC)C
Isomeric SMILES COC[C@H]1C[C@H](N(C1)C(=O)[C@@H](c1ccccc1)NC(=O)OC)c1ncc([nH]1)c1ccc2c(c1)COc1c2cc2ccc3c(c2c1)nc([nH]3)[C@@H]1CC[C@@H](N1C(=O)[C@H](C(C)C)NC(=O)OC)C
InChI InChI=1S/C49H54N8O8/c1-26(2)41(54-48(60)63-5)47(59)57-27(3)12-17-38(57)45-51-36-16-14-30-20-35-33-15-13-31(19-32(33)25-65-40(35)21-34(30)43(36)53-45)37-22-50-44(52-37)39-18-28(24-62-4)23-56(39)46(58)42(55-49(61)64-6)29-10-8-7-9-11-29/h7-11,13-16,19-22,26-28,38-39,41-42H,12,17-18,23-25H2,1-6H3,(H,50,52)(H,51,53)(H,54,60)(H,55,61)/t27-,28-,38-,39-,41-,42+/m0/s1
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (EMA & FDA (2016))
WHO Essential Medicine WHO Essential Medicines List (EML) (23rd List, 2023). Access PDF version.
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International Nonproprietary Names Click here for help
INN number INN
9960 velpatasvir
Synonyms Click here for help
Epclusa® (sofosbuvir + velpatasvir) | GS-5816 | GS5816 | Vosevi® (sofosbuvir + velpatasvir + voxilaprevi)
Database Links Click here for help
CAS Registry No. 1377049-84-7 (source: PubChem)
ChEMBL Ligand CHEMBL3545062
DrugBank Ligand DB11613
DrugCentral Ligand 5154
GtoPdb PubChem SID 434321704
PubChem CID 67683363
Search Google for chemical match using the InChIKey FHCUMDQMBHQXKK-CDIODLITSA-N
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UniChem Compound Search for chemical match using the InChIKey FHCUMDQMBHQXKK-CDIODLITSA-N
UniChem Connectivity Search for chemical match using the InChIKey FHCUMDQMBHQXKK-CDIODLITSA-N