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Compound Detail

CHEMBL382795

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CC(=O)N(O)CC1CC1(c1ccccc1)P(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL382795
Phase Preclinical
Structure Type MOL
InChI Key DKLANOGEGNSBII-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

285.2
MW (Da)
1.32
ALogP
3
HBA
3
HBD
98.1
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H16NO5P
MW 285.24
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 0.39

Literature References

PubMed DOI Target Context # Activities
16610809 10.1021/jm051177c 1-deoxy-D-xylulose 5-phosphate reductoisomerase 1

Data from ChEMBL 36 via Core Engine