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Compound Detail

CHEMBL236542

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

Basic Information

ChEMBL ID CHEMBL236542
Phase Preclinical
Structure Type MOL
InChI Key RSUOMWGCILFVGE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

320.2
MW (Da)
-0.45
ALogP
4
HBA
4
HBD
138.1
PSA (Ų)
0.38
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H18O7P2S
MW 320.24
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness 0.48

Literature References

PubMed DOI Target Context # Activities
17963374 10.1021/jm700991k MCF7 1
17963374 10.1021/jm700991k NCI-H460 1
17963374 10.1021/jm700991k SF-268 1

Data from ChEMBL 36 via Core Engine