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Compound Detail

CHEMBL436939

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O=P([O-])(O)C(O)(C[n+]1ccc(-c2ccccc2)cc1)P(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL436939
Phase Preclinical
Structure Type MOL
InChI Key DSUBNMMOGRUPHP-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

359.2
MW (Da)
0.01
ALogP
4
HBA
4
HBD
142.0
PSA (Ų)
0.44
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 C13H15NO7P2
MW 359.21
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.06

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