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Compound Detail

CHEMBL215472

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COc1cc[n+](CC(O)(P(=O)([O-])O)P(=O)(O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL215472
Phase Preclinical
Structure Type MOL
InChI Key YSUKQIXWNDLBQL-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

313.1
MW (Da)
-1.65
ALogP
5
HBA
4
HBD
151.2
PSA (Ų)
0.37
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 C8H13NO8P2
MW 313.14
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 0.27

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