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Compound Detail

CHEMBL4859406

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CCOP(=O)(/C=C/C(N)c1ccccc1)OCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4859406
Phase Preclinical
Structure Type MOL
InChI Key WCXMLXQQBANWOS-ZHACJKMWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

269.3
MW (Da)
3.47
ALogP
4
HBA
1
HBD
61.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H20NO3P
MW 269.28
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.15

Literature References

PubMed DOI Target Context # Activities
33901900 10.1016/j.ejmech.2021.113454 Cysteine protease falcipain-2 2
33901900 10.1016/j.ejmech.2021.113454 A549 1
33901900 10.1016/j.ejmech.2021.113454 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine