ID: ALA4952441

Max Phase: Preclinical

Molecular Formula: C17H14N4O

Molecular Weight: 290.33

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:

   

   ALA4952441

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Molecule Features

Natural Product: No

Chemical Probe: No

Molecule Type: Unknown

First In Class: No

Chirality: No

Prodrug: No

Oral: No

Parenteral: No

Topical: No

Black Box: No

Availability: No

Activity Summary

Bioactivity Summary	Count
Z score	1
Inhibition	1

Assay Summary	Count
F-Functional	1

Properties

Molecular Weight: 290.33

Molecular Weight (Monoisotopic): 290.1168

AlogP: 3.60

#Rotatable Bonds: 2

Polar Surface Area: 73.57

Molecular Species: NEUTRAL

HBA: 2

HBD: 3

#RO5 Violations: 0

HBA (Lipinski): 5

HBD (Lipinski): 3

#RO5 Violations (Lipinski): 0

CX Acidic pKa: 12.72

CX Basic pKa: 6.31

CX LogP: 2.57

CX LogD: 2.54

Aromatic Rings: 4

Heavy Atoms: 22

QED Weighted: 0.53

Np Likeness Score: -1.68

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