ID: ALA4962647

Max Phase: Preclinical

Molecular Formula: C15H26N4O2

Molecular Weight: 294.40

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:

   

   ALA4962647

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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: 294.40

Molecular Weight (Monoisotopic): 294.2056

AlogP: 1.79

#Rotatable Bonds: 6

Polar Surface Area: 59.39

Molecular Species: NEUTRAL

HBA: 4

HBD: 1

#RO5 Violations: 0

HBA (Lipinski): 6

HBD (Lipinski): 1

#RO5 Violations (Lipinski): 0

CX Acidic pKa:

CX Basic pKa: 7.10

CX LogP: 0.64

CX LogD: 0.48

Aromatic Rings: 1

Heavy Atoms: 21

QED Weighted: 0.81

Np Likeness Score: -1.89

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