Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL212662

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=P([O-])(O)C(O)(C[n+]1cccc(-c2ccc(F)cc2)c1)P(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL212662
Phase Preclinical
Structure Type MOL
InChI Key WYYOJIJKGLEQPE-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

377.2
MW (Da)
0.15
ALogP
4
HBA
4
HBD
142.0
PSA (Ų)
0.43
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 C13H14FNO7P2
MW 377.20
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.21

Activity Summary

IC50 3 meas. best 5.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NCI-H460
CHEMBL396
 IC50 5.25 5.25 5600.0 1
SF-268
CHEMBL613977
 IC50 5.19 5.19 6500.0 1
MCF7
CHEMBL387
 IC50 4.76 4.76 17300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NCI-H460 IC50 = 5600.0 nM 5.25 Antiproliferative activity against human NCI-H460 cell line by MTT assay 16970405
SF-268 IC50 = 6500.0 nM 5.19 Antiproliferative activity against human SF-268 cell line by MTT assay 16970405
MCF7 IC50 = 17300.0 nM 4.76 Antiproliferative activity against human MCF7 cell line by MTT assay 16970405

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