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Compound Detail

CHEMBL236123

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O=P([O-])(O)C(O)(CC[S+]1CCCC1)P(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL236123
Phase Preclinical
Structure Type MOL
InChI Key IXKVYVPEIIZXKG-UHFFFAOYSA-N
0
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

306.2
MW (Da)
-0.84
ALogP
4
HBA
4
HBD
138.1
PSA (Ų)
0.38
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 C7H16O7P2S
MW 306.21
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 0.45

Activity Summary

IC50 6 meas.

Literature References

PubMed DOI Target Context # Activities
17963374 10.1021/jm700991k NCI-H460 2
17963374 10.1021/jm700991k MCF7 2
17963374 10.1021/jm700991k SF-268 2

Data from ChEMBL 36 via Core Engine