ID: ALA4950476

Max Phase: Preclinical

Molecular Formula: C19H29N3O3

Molecular Weight: 347.46

Molecule Type: Unknown

Representations

Molfile:

Canonical SMILES:

copy

Standard InChI:

copy

Standard InChI Key:

copy

Alternative Forms

1. Parent:

   

   ALA4950476

   ---

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: 347.46

Molecular Weight (Monoisotopic): 347.2209

AlogP: 2.94

#Rotatable Bonds: 4

Polar Surface Area: 54.04

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: 1.30

CX LogP: 2.47

CX LogD: 2.47

Aromatic Rings: 1

Heavy Atoms: 25

QED Weighted: 0.91

Np Likeness Score: -1.57

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