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Compound Detail

CHEMBL338917

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CC1CCCCN1C(P(=O)(O)O)P(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL338917
Phase Preclinical
Structure Type MOL
InChI Key OHWRHQKXXJLTSO-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

273.2
MW (Da)
0.50
ALogP
3
HBA
4
HBD
118.3
PSA (Ų)
0.55
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 C7H17NO6P2
MW 273.16
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness -0.25

Activity Summary

IC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
14711309 10.1021/jm0303709 Unchecked 2
15857119 10.1021/jm040132t HFF 1
17149863 10.1021/jm060492b Escherichia coli 1

Data from ChEMBL 36 via Core Engine