paritaprevir   Click here for help

GtoPdb Ligand ID: 11273

Synonyms: ABT-450 | ABT450 | veruprevir (deprecated INN) | Viekirax® (ombitasvir + paritaprevir + ritonavir; EU)
Approved drug
paritaprevir is an approved drug (FDA (2015), EMA (2020))
Compound class: Synthetic organic
Comment: Paritaprevir is an orally bioavailable, direct-acting inhibitor of the hepatitis C virus (HCV) non-structural protein 3 and 4A (NS3/NS4A) protease complex [1]. It blocks NS3/NS4A protease-mediated polyprotein maturation, thus disrupting viral replication.
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 13
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 198.03
Molecular weight 765.29
XLogP 4.33
No. Lipinski's rules broken 1
Click here for help
Canonical SMILES Cc1ncc(nc1)C(=O)N[C@H]1CCCCC/C=C\[C@H]2[C@](NC(=O)[C@H]3N(C1=O)C[C@@H](C3)Oc1nc3ccccc3c3c1cccc3)(C2)C(=O)NS(=O)(=O)C1CC1
Isomeric SMILES Cc1ncc(nc1)C(=O)N[C@H]1CCCCC/C=C\[C@H]2[C@](NC(=O)[C@H]3N(C1=O)C[C@@H](C3)Oc1nc3ccccc3c3c1cccc3)(C2)C(=O)NS(=O)(=O)C1CC1
InChI InChI=1S/C40H43N7O7S/c1-24-21-42-33(22-41-24)35(48)43-32-16-6-4-2-3-5-11-25-20-40(25,39(51)46-55(52,53)27-17-18-27)45-36(49)34-19-26(23-47(34)38(32)50)54-37-30-14-8-7-12-28(30)29-13-9-10-15-31(29)44-37/h5,7-15,21-22,25-27,32,34H,2-4,6,16-20,23H2,1H3,(H,43,48)(H,45,49)(H,46,51)/b11-5-/t25-,26-,32+,34+,40-/m1/s1
No information available.
Summary of Clinical Use Click here for help
Paritaprevir is used in fixed-dose combination with ombitasvir ane ritonavir, to treat chronic HCV infection. The Technivie® triple agent medication has been discontinued in the USA.