AntibioticMech

Browse · ANTIVIRAL

paritaprevir

CHEBI:85188 ·resolve ·ANTIVIRAL ·EXACT REVIEWED

An azamacrocycle which is used which is in combination with dasabuvir sodium hydrate, ombitasvir and ritonavir (under the trade name Viekira Pak) for treatment of chronic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver. — ChEBI

Classification

Strictly broader compounds or drug classes this molecule belongs to.

Chemical structure

Computed structure properties
Molecular formulaC40H43N7O7S
Charge0
Average mass765.893 Da
Monoisotopic mass765.29447 Da
SourceChEBI
InChIKeyUAUIUKWPKRJZJV-MDJGTQRPSA-N

SMILES

[H][C@@]12C[C@@H](Oc3nc4ccccc4c4ccccc34)CN1C(=O)[C@@H](NC(=O)c1cnc(C)cn1)CCCCC/C=C\[C@@]1([H])C[C@@]1(C(=O)NS(=O)(=O)C1CC1)NC2=O

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+/m0/s1

Also called

Cross-references

Identifiers for this same structure in other resources. An accession that lands on two different structures in this corpus is withheld from both rather than shown here, since it names at most one of them.

Drug registries

Identifiers that name a drug rather than a structure. One of these can cover a parent compound, its salts and its stereoisomers, which this corpus keeps as separate records, so it is not an equivalence of structure.

Patents and articles

Documents about this compound. A patent covers a class and an article covers a topic; neither identifies a structure.

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

Source concepts

Every upstream concept that resolved to this record. The merge is the product: this is what shows ChEBI and CARD are describing the same structure.

Upstream concepts merged into this record
SourceNative IDLabelMinted CURIEVersion
CHEBI CHEBI:85188 paritaprevir antibioticmech:chebi-8bc52ad045 2026-08-30

Molecular targets

The molecular entity or process this compound acts on. Each target carries evidence — this is a mechanistic claim, not a classification.

hepatitis C virus NS3/4A serine protease VIRAL_PROTEIN MEASURED_TARGET_ASSOCIATION

Biochemical protease assays, HCV genotype replicons, resistance selection, and a three-day monotherapy study established the functional target association; direct binding was not established. Evidence status: PRIMARY_EVIDENCE. Source: PRIMARY_LITERATURE 2014-12 (retrieved 2026-09-02).

Mechanism summary

Mode of action
VIRAL_PROTEASE_INHIBITION microbial target — CURATOR: PMID:25451053 studied ABT-450 (paritaprevir) as a hepatitis C virus NS3/4A protease inhibitor in biochemical, genotype-replicon, resistance-selection, and short monotherapy experiments. Functional evidence supports NS3/4A as the target, without establishing direct compound binding in the inspected report.

Resistance mechanisms

1 source-backed resistance determinants or associations, with ARO grounding where reported. Grouped by reported mechanism type.

ANTIBIOTIC_TARGET_ALTERATION 1
ANTIBIOTIC_TARGET_ALTERATION
DeterminantARO IDOrganismGene familiesEvidence
HCV NS3 R155, A156, and D168 resistance-associated substitutions
Resistance selection and mutant replicon testing identified substitutions at NS3 positions R155, A156, and D168 with reduced paritaprevir susceptibility; the magnitude was substitution- and genotype-dependent. Compound-form review pending: PMID:25451053 names a hydrate in its Compound section, whereas this record's formula contains no water. This existing claim has not been revalidated for exact-form placement; no additional organism, protein or allele grounding is assigned pending resolution.		 — not organism-specific HCV NS3 serine protease
  • PMID:25451053 (Primary paritaprevir resistance-selection and mutant-replicon study.)

Discussions

Open questions, knowledge gaps and curation todos attached to this compound.

CURATION_TODO OPEN

Resolve the placement of PMID:25451053 evidence on the paritaprevir structure recorded here: the paper's Compound section names a hydrate. Does the evidence require a different structure record or an explicit active-moiety interpretation?

This record's formula C40H43N7O7S does not include water. The inspected compound text does not establish hydrate stoichiometry or an exact-structure crosswalk, so neither a new hydrate record nor transfer of the existing evidence is justified by this review alone.

Attached to: chemical_structure, resistance_mechanisms, molecular_targets, mode_of_action

Record-level evidence

Curation history

  1. SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources

    Seeded from data/raw/ inventories (CHEBI)

  2. RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources

    Re-seeded from updated data/raw/ inventories

  3. RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources

    Re-seeded from updated data/raw/ inventories

  4. REVIEWED 2026-09-02 · codex · LLM-assisted

    Verified exact ChEBI identity, structure, and antiviral class; replaced the database-only mechanism rationale with primary ABT-450 evidence and added the NS3/4A target plus target-alteration resistance.

  5. RESEEDED_FROM_SOURCES 2026-09-10 · seed_from_sources

    Re-seeded from updated data/raw/ inventories

  6. FLAGGED_COMPOUND_FORM_REVIEW 2026-10-08 · codex · LLM-assisted

    Flagged primary-paper material-form ambiguity in an open discussion and the existing resistance note. Preserved chemical identity, claim evidence and prior review status; did not transfer or expand the claim.

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record (YAML).

Explore across X-Mech: MediaIngredientMech (paritaprevir) · CultureMech · NaturalProductMech · PathwayMech · TraitMech