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Compound Detail

CHEMBL3403499

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CCOP(=O)(OCC)C1CCN(OCc2ccccc2)C(=O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3403499
Phase Preclinical
Structure Type MOL
InChI Key HSLMRTPPBKIMPO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

341.3
MW (Da)
3.38
ALogP
5
HBA
0
HBD
65.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H24NO5P
MW 341.34
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.16

Literature References

PubMed DOI Target Context # Activities
25881827 10.1016/j.bmcl.2015.03.077 Plasmodium falciparum 1
25881827 10.1016/j.bmcl.2015.03.077 ADMET 1

Data from ChEMBL 36 via Core Engine