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Compound Detail

CHEMBL64073

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O=P(O)(O)c1cc2cc(F)c(F)cc2nc1O

Basic Information

ChEMBL ID CHEMBL64073
Phase Preclinical
Structure Type MOL
InChI Key COKMNRBMFYDOOX-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

261.1
MW (Da)
1.02
ALogP
3
HBA
3
HBD
90.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H6F2NO4P
MW 261.12
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.90

Activity Summary

IC50 2 meas. best 4.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, kainate
CHEMBL2094119
IC50 4.19 4.19 65000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8568808 10.1021/jm950323j Glutamate receptor ionotropic, kainate 1
8568808 10.1021/jm950323j Glutamate NMDA receptor 1
8568808 10.1021/jm950323j Unchecked 1

Data from ChEMBL 36 via Core Engine