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Name And Identifier

ID: ALA4962473

Max Phase: Preclinical

Molecular Formula: C11H16FN3O

Molecular Weight: 225.27

Molecule Type: Unknown

Representations

Molfile:

Canonical SMILES:

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Standard InChI:

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Standard InChI Key:

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Alternative Forms

  1. Parent:

    ALA4962473

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Molecule Features

Natural Product: NoChemical Probe: No
Molecule Type: UnknownFirst In Class: No
Chirality: NoProdrug: No
Oral: NoParenteral: No
Topical: NoBlack Box: No
Availability: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for Indication

Mechanisms of Action

Mechanism of ActionAction TypeTarget NameTarget TypeTarget OrganismBinding Site Name

Activity Summary

Bioactivity SummaryCount
Z score1
Inhibition1
Assay SummaryCount
F-Functional1

Properties

Molecular Weight: 225.27Molecular Weight (Monoisotopic): 225.1277
AlogP: 1.73#Rotatable Bonds: 2
Polar Surface Area: 57.78Molecular Species: NEUTRAL
HBA: 2HBD: 2
#RO5 Violations: 0HBA (Lipinski): 4
HBD (Lipinski): 2#RO5 Violations (Lipinski): 0
CX Acidic pKa: 8.74CX Basic pKa: 2.17
CX LogP: 1.17CX LogD: 1.15
Aromatic Rings: 1Heavy Atoms: 16
QED Weighted: 0.80Np Likeness Score: -1.64

References

1. Dechering K; Duffey M.  (2022)  Replenishing the malaria drug discovery pipeline: Screening and hit evaluation of the MMV Hit Generation Library 1 (HGL1) against asexual blood stage Plasmodium falciparum ,using a nano luciferase reporter read-out,      [PMID:]

Source

Source(1):

  • MMV Malaria HGL