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Compound Detail

CHEMBL382774

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NC(Cn1ccc(=O)n(Cc2ccc(P(=O)(O)O)cc2)c1=O)C(=O)O

Basic Information

ChEMBL ID CHEMBL382774
Phase Preclinical
Structure Type MOL
InChI Key LADIYNLZGUDYMF-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

369.3
MW (Da)
-1.73
ALogP
7
HBA
4
HBD
164.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H16N3O7P
MW 369.27
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.35

Activity Summary

IC50 1 meas.
Kd 1 meas. best 5.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, kainate 5
CHEMBL4041
Kd 5.24 5.24 5800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16610801 10.1021/jm051086f Glutamate receptor ionotropic, kainate 5 1
16610801 10.1021/jm051086f Glutamate receptor ionotropic, AMPA 1
16610801 10.1021/jm051086f Glutamate receptor ionotropic, kainate 2 1

Data from ChEMBL 36 via Core Engine