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AMR Drug RepurposingSmart Screeningresearch prototype

Daclatasvir Dihydrochloride

FDA-approved product (tablet, oral), marketed as Daklinza.

Registered studies
2
Lab records
0
Pathogens at ≥40%
3 of 4

Chemical structure

Chemical structure of Daclatasvir Dihydrochloride
A drawing shows what the molecule is, not what it does.

Existing / approved use

Documented · FDA, WHO, ChEMBL

Approved for

  • Chronic hepatitis C virus infection
  • Viral disease

Indications ChEMBL records as approved, from FDA and DailyMed labels. Label ↗

WHO therapeutic group
Antivirals for treatment of hcv infections
Anti-infective classification
Classified as another kind of anti-infective (for example an antifungal, antiviral or antiparasitic medicine).WHO ATC J05AP07

Repurposing investigation

This medicine is being investigated here for AI-predicted antimicrobial activity against E. coli, MRSA and M. tuberculosis. It was surfaced computationally for further investigation; it is not an established treatment for these infections.

AI-predicted activity

AI prediction · nothing measured
  • MRSA48.1% AI-predicted activityAt or above the ≥40% mark this site uses to surface candidates.
  • E. coli48.0% AI-predicted activityAt or above the ≥40% mark this site uses to surface candidates.
  • K. pneumoniae28.2% AI-predicted activityBelow the ≥40% mark this site uses to surface candidates.
  • M. tuberculosis56.8% AI-predicted activityAt or above the ≥40% mark this site uses to surface candidates.

A model’s estimate of laboratory activity against each pathogen species. It is not clinical effectiveness.

Evidence

Clinical and experimental

Documented evidence

Clinical

2registered studies name this medicine, for any condition. See them below.

Experimental

No evidence found

No laboratory measurement against the four pathogens in the ChEMBL records loaded here.

Open Daclatasvir Dihydrochloride in ChEMBL Registered studies below

Docking

Computational · nothing measured

Dihydrofolate reductase ↗ (E. coli)

Not yet docked: queued in the docking rundetails

KPC-2 carbapenemase ↗ (K. pneumoniae)

Not yet docked: queued in the docking rundetails

Enoyl-ACP reductase (InhA) ↗ (M. tuberculosis)

Not yet docked: queued in the docking rundetails

Dihydrofolate reductase ↗ (MRSA)

Not yet docked: queued in the docking rundetails

AutoDock Vina, one experimentally solved protein per pathogen. This project’s screening target is -7.0 kcal/mol, its own mark rather than a universal cutoff. A docking score is a structural hypothesis, not proof of binding, and requires experimental validation.

Other medicines to investigate

AI prediction · nothing measured

Other repurposing candidates: approved medicines besides Daclatasvir Dihydrochloride with AI-predicted activity ≥40% against the chosen pathogen, leaving out existing antimicrobials. They are computational candidates for further investigation, not alternatives and not recommendations.

Sorted by AI-predicted activity, high to low. The order is not a ranking of which medicine is better.

Registered studies

A registration describes a study; it does not establish a positive result.

  • SH229 Tablets Combined With Daclatasvir Dihydrochloride Tablets in Treatment Adult Patients With Chronic Hepatitis C

    NCT04070235 · start 2019-03-29

    Registered record
    Registry ID
    NCT04070235
    Conditions
    Hepatitis C, Chronic
    Interventions
    SH229 tablets; Daclatasvir dihydrochloride
    Study type
    INTERVENTIONAL
    Phase
    Phase 2 / Phase 3
    Registry status
    Unknown
    Start
    2019-03-29
    Completion
    2020-08
    Enrolment
    440

    As stored from ClinicalTrials.gov. Registration describes a study; it does not mean the study worked.

    ConditionHepatitis C, Chronic
    InterventionSH229 tablets; Daclatasvir dihydrochloride
    PhasePhase 2 / Phase 3
    Registry statusUnknown

  • A Drug-drug Interaction Study of SH229 Tablets and Daclatasvir Dihydrochloride Tablets in Healthy Subjects

    NCT03748745 · start 2018-11-19

    Registered record
    Registry ID
    NCT03748745
    Conditions
    Drug Interactions
    Interventions
    SH229; SH229; Daclatasvir dihydrochloride; Daclatasvir dihydrochloride
    Study type
    INTERVENTIONAL
    Phase
    Phase 1
    Registry status
    Completed
    Start
    2018-11-19
    Completion
    2018-12-25
    Enrolment
    28

    As stored from ClinicalTrials.gov. Registration describes a study; it does not mean the study worked.

    ConditionDrug Interactions
    InterventionSH229; SH229; Daclatasvir dihydrochloride; Daclatasvir dihydrochloride
    PhasePhase 1
    Registry statusCompleted