PIBRENTASVIR

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Synonyms
Status
Molecule Category Free-form
UNII 2WU922TK3L

Structure

InChI Key VJYSBPDEJWLKKJ-NLIMODCCSA-N
Smiles COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2cc([C@H]3CC[C@H](c4cc5nc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC)[nH]c5cc4F)N3c3cc(F)c(N4CCC(c5ccc(F)cc5)CC4)c(F)c3)c(F)cc2[nH]1)[C@@H](C)OC
InChI
InChI=1S/C57H65F5N10O8/c1-29(77-3)49(67-56(75)79-5)54(73)70-19-7-9-47(70)52-63-41-25-35(37(59)27-43(41)65-52)45-15-16-46(72(45)34-23-39(61)51(40(62)24-34)69-21-17-32(18-22-69)31-11-13-33(58)14-12-31)36-26-42-44(28-38(36)60)66-53(64-42)48-10-8-20-71(48)55(74)50(30(2)78-4)68-57(76)80-6/h11-14,23-30,32,45-50H,7-10,15-22H2,1-6H3,(H,63,65)(H,64,66)(H,67,75)(H,68,76)/t29-,30-,45-,46-,47+,48+,49+,50+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C57H65F5N10O8
Molecular Weight 1113.2

Pharmacology

Mechanism of Action Action Reference
Nonstructural protein 5A inhibitor INHIBITOR FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme
0.0014-0.2 - - - -
Unclassified protein
0.0018-0.064 - - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Hepatitis C virus (isolate Con1)
0.0014-0.2 - - - -
Hepatitis C virus (isolate H77)
0.0018-0.064 - - - -

Cross References

Resources Reference
ChEMBL CHEMBL3545123
DrugBank DB13878
DrugCentral 5244
FDA SRS 2WU922TK3L
Guide to Pharmacology 11268
PubChem 58031952
SureChEMBL SCHEMBL2756579
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