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Record W2293229070 · doi:10.1021/acs.jmedchem.5b00596

Discovery of Indoline-2-carboxamide Derivatives as a New Class of Brain-Penetrant Inhibitors of<i>Trypanosoma brucei</i>

2015· article· en· W2293229070 on OpenAlexaff
Laura A. T. Cleghorn, Sébastien Albrecht, Laste Stojanovski, Frederick Simeons, Suzanne Norval, Robert Kime, Iain T. Collie, Manu De Rycker, Lorna Campbell, Irene Hallyburton, Julie A. Frearson, Paul G. Wyatt, Kevin D. Read, Ian H. Gilbert

Bibliographic record

VenueJournal of Medicinal Chemistry · 2015
Typearticle
Languageen
FieldMedicine
TopicTrypanosoma species research and implications
Canadian institutionsDiscovery Centre
FundersNational Institute of Mental HealthU.S. Public Health ServiceWellcome TrustWellcome
KeywordsTrypanosoma bruceiPenetrant (biochemical)IndolineAfrican trypanosomiasisCarboxamideChemistryTrypanocidal agentTolerabilityPharmacologyTrypanosomiasisBiochemistryVirologyBiologyStereochemistry

Abstract

fetched live from OpenAlex

There is an urgent need for new, brain penetrant small molecules that target the central nervous system second stage of human African trypanosomiasis (HAT). We report that a series of novel indoline-2-carboxamides have been identified as inhibitors of Trypanosoma brucei from screening of a focused protease library against Trypanosoma brucei brucei in culture. We describe the optimization and characterization of this series. Potent antiproliferative activity was observed. The series demonstrated excellent pharmacokinetic properties, full cures in a stage 1 mouse model of HAT, and a partial cure in a stage 2 mouse model of HAT. Lack of tolerability prevented delivery of a fully curative regimen in the stage 2 mouse model and thus further progress of this series.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame distilled prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.005
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.032
Threshold uncertainty score0.612

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.005
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0000.000
Science and technology studies0.0000.001
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.001
Insufficient payload (model declined to judge)0.0000.000

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.031
GPT teacher head0.321
Teacher spread0.289 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one teacher head, not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designBench or experimental
Domainnot available
GenreEmpirical

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations27
Published2015
Admission routes1
Has abstractyes

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