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Compound Detail

CHEMBL235062

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

Basic Information

ChEMBL ID CHEMBL235062
Phase Preclinical
Structure Type MOL
InChI Key MOWWIWCSWNTNQP-UHFFFAOYSA-N
0
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

308.2
MW (Da)
-0.60
ALogP
4
HBA
4
HBD
138.1
PSA (Ų)
0.36
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H18O7P2S
MW 308.23
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 0.41

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