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Compound Detail

CHEMBL218745

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CCC(C)NC(P(=O)(O)O)P(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL218745
Phase Preclinical
Structure Type MOL
InChI Key YYRQOECREFNIAG-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

247.1
MW (Da)
0.01
ALogP
3
HBA
5
HBD
127.1
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C5H15NO6P2
MW 247.12
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness -0.08

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
15857119 10.1021/jm040132t HFF 1
17149863 10.1021/jm060492b Escherichia coli 1

Data from ChEMBL 36 via Core Engine