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Compound Detail

CHEMBL378858

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

Basic Information

ChEMBL ID CHEMBL378858
Phase Preclinical
Structure Type MOL
InChI Key OOSUBBZUMZCDSI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

335.1
MW (Da)
0.04
ALogP
3
HBA
3
HBD
121.8
PSA (Ų)
0.53
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 C8H10F3NO6P2
MW 335.11
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.41

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