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Compound Detail

CHEMBL4206644

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O=C(N(O)C/C=C/P(=O)([O-])O)C(F)(F)F.[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4206644
Phase Preclinical
Structure Type MOL
InChI Key NPEJEOBZWANXBA-KSMVGCCESA-M
Parent Compound CHEMBL4300199
Active Moiety CHEMBL4300199
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

249.1
MW (Da)
0.46
ALogP
3
HBA
3
HBD
98.1
PSA (Ų)
0.38
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C5H6F3NNaO5P
MW 271.06
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness 0.17

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
30192536 10.1021/acs.jmedchem.8b01026 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic 2
30192536 10.1021/acs.jmedchem.8b01026 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine