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AMR Drug RepurposingSmart Screeningresearch prototype

Acalabrutinib

FDA-approved product (capsule, oral), marketed as Calquence.

Registered studies
50+
Lab records
0
Pathogens at ≥40%
2 of 4

Chemical structure

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

Existing / approved use

Documented · FDA, WHO, ChEMBL

Approved for

  • Cancer
  • Chronic lymphocytic leukemia
  • Mantle cell lymphoma
  • Neoplasm

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

WHO therapeutic group
Bruton's tyrosine kinase (btk) inhibitors
FDA pharmacologic class
Kinase Inhibitor FDA label ↗
Anti-infective classification
Not classified as an anti-infective.

Repurposing investigation

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

AI-predicted activity

AI prediction · nothing measured
  • MRSA60.2% AI-predicted activityAt or above the ≥40% mark this site uses to surface candidates.
  • E. coli38.8% AI-predicted activityBelow the ≥40% mark this site uses to surface candidates.
  • K. pneumoniae31.8% AI-predicted activityBelow the ≥40% mark this site uses to surface candidates.
  • M. tuberculosis60.8% 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

50+registered studies name this medicine, for any condition. The registry search keeps the first 50, so there may be more. See them below.

Experimental

No evidence found

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

Open Acalabrutinib in ChEMBL Registered studies below

Docking

Computational · nothing measured

Dihydrofolate reductase ↗ (E. coli)

-8.3 kcal/mol

0better fit →-12

KPC-2 carbapenemase ↗ (K. pneumoniae)

-7.0 kcal/mol

0better fit →-12

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

-9.6 kcal/mol

0better fit →-12

Dihydrofolate reductase ↗ (MRSA)

-8.0 kcal/mol

0better fit →-12

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 Acalabrutinib 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.

  • An Open-label, Phase 2 Study of ACP-196 (Acalabrutinib) in Subjects With Mantle Cell Lymphoma

    NCT02213926 · start 2015-03-02

    Registered record
    Registry ID
    NCT02213926
    Conditions
    Mantle Cell Lymphoma (MCL)
    Interventions
    ACP-196 (acalabrutinib)
    Study type
    INTERVENTIONAL
    Phase
    Phase 2
    Registry status
    Active not recruiting
    Start
    2015-03-02
    Completion
    2026-09-06
    Enrolment
    124

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

    ConditionMantle Cell Lymphoma (MCL)
    InterventionACP-196 (acalabrutinib)
    PhasePhase 2
    Registry statusActive not recruiting

  • Acalabrutinib (ACP-196) in Combination With ACP-319, for Treatment of B-Cell Malignancies

    NCT02328014 · start 2014-12-20

    Registered record
    Registry ID
    NCT02328014
    Conditions
    Non-Hodgkins Lymphoma; Multiple Myeloma; B-All
    Interventions
    Acalabrutinib; ACP-319
    Study type
    INTERVENTIONAL
    Phase
    Phase 1 / Phase 2
    Registry status
    Completed
    Start
    2014-12-20
    Completion
    2025-10-30
    Enrolment
    40

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

    ConditionNon-Hodgkins Lymphoma; Multiple Myeloma; B-All
    InterventionAcalabrutinib; ACP-319
    PhasePhase 1 / Phase 2
    Registry statusCompleted

  • A Study to Evaluate the Effect of Hepatic Insufficiency on the Pharmacokinetics (PK) of ACP-196

    NCT04867941 · start 2014-10-21

    Registered record
    Registry ID
    NCT04867941
    Conditions
    Hepatic Insufficiency
    Interventions
    ACP-196
    Study type
    INTERVENTIONAL
    Phase
    Phase 1
    Registry status
    Completed
    Start
    2014-10-21
    Completion
    2015-02-02
    Enrolment
    18

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

    ConditionHepatic Insufficiency
    InterventionACP-196
    PhasePhase 1
    Registry statusCompleted

  • A Study to Evaluate the One-way Interaction of Calcium Carbonate, Omeprazole, or Rifampin on ACP-196

    NCT04914936 · start 2014-09-21

    Registered record
    Registry ID
    NCT04914936
    Conditions
    Healthy Participants
    Interventions
    ACP-196; Calcium carbonate; Omeprazole; Rifampin
    Study type
    INTERVENTIONAL
    Phase
    Phase 1
    Registry status
    Completed
    Start
    2014-09-21
    Completion
    2014-10-16
    Enrolment
    72

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

    ConditionHealthy Participants
    InterventionACP-196; Calcium carbonate; Omeprazole; Rifampin
    PhasePhase 1
    Registry statusCompleted

  • ACP-196 (Acalabrutinib), a Novel Bruton Tyrosine Kinase (BTK) Inhibitor, for Treatment of Chronic Lymphocytic Leukemia, Richter's Syndrome or Prolymphocytic Leukemia

    NCT02029443 · start 2014-01-30

    Registered record
    Registry ID
    NCT02029443
    Conditions
    Chronic Lymphocytic Leukemia; Small Lymphocytic Lymphoma; Richter's Syndrome; Prolymphocytic Leukemia
    Interventions
    Acalabrutinib
    Study type
    INTERVENTIONAL
    Phase
    Phase 1 / Phase 2
    Registry status
    Active not recruiting
    Start
    2014-01-30
    Completion
    2027-06-09
    Enrolment
    306

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

    ConditionChronic Lymphocytic Leukemia; Small Lymphocytic Lymphoma; Richter's Syndrome; Prolymphocytic Leukemia
    InterventionAcalabrutinib
    PhasePhase 1 / Phase 2
    Registry statusActive not recruiting