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
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Physico-chemical Properties
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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
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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
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2015), EMA (2020))
Withdrawn drug? Yes
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
9739 paritaprevir
Synonyms Click here for help
ABT-450 | ABT450 | veruprevir (deprecated INN) | Viekirax® (ombitasvir + paritaprevir + ritonavir; EU)
Database Links Click here for help
CAS Registry No. 1216941-48-8 (source: WHO INN record)
ChEMBL Ligand CHEMBL3391662
DrugBank Ligand DB09297
DrugCentral Ligand 4913
GtoPdb PubChem SID 434321708
PubChem CID 45110509
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UniChem Compound Search for chemical match using the InChIKey UAUIUKWPKRJZJV-QPLHLKROSA-N
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