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Compound Detail

CHEMBL212182

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O=P(O)(O)C(Cc1ccc(Br)c(Br)c1)P(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL212182
Phase Preclinical
Structure Type MOL
InChI Key DWMWRXVPCNKVDT-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

423.9
MW (Da)
2.44
ALogP
2
HBA
4
HBD
115.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H10Br2O6P2
MW 423.92
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.10

Activity Summary

IC50 3 meas.

Literature References

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

Data from ChEMBL 36 via Core Engine