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Compound Detail

CHEMBL216027

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O=P(O)(O)C(O)(Cc1ccc(-c2ccccc2-c2ccccc2)cc1)P(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL216027
Phase Preclinical
Structure Type MOL
InChI Key GQDOCMQIUPSEIN-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

434.3
MW (Da)
3.56
ALogP
3
HBA
5
HBD
135.3
PSA (Ų)
0.37
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 C20H20O7P2
MW 434.32
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness 0.12

Activity Summary

IC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
16970405 10.1021/jm060280e MCF7 1
16970405 10.1021/jm060280e NCI-H460 1
16970405 10.1021/jm060280e SF-268 1

Data from ChEMBL 36 via Core Engine