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Compound Detail

CHEMBL5190991

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O=c1[nH]c2ccc(-c3cccc(P(=O)(O)O)c3)cc2[nH]c1=O

Basic Information

ChEMBL ID CHEMBL5190991
Phase Preclinical
Structure Type MOL
InChI Key CIJYDEOKXVCADS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

318.2
MW (Da)
0.69
ALogP
3
HBA
4
HBD
123.2
PSA (Ų)
0.41
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H11N2O5P
MW 318.23
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.44

Activity Summary

Ki 1 meas. best 4.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, kainate 1
CHEMBL1918
Ki 4.92 4.92 12000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate receptor ionotropic, kainate 1 Ki = 12000.0 nM 4.92 Binding affinity to GluK1 receptor (unknown origin) 34998058

Literature References

PubMed DOI Target Context # Activities
34998058 10.1016/j.ejmech.2021.114085 Glutamate receptor ionotropic AMPA 1
34998058 10.1016/j.ejmech.2021.114085 Glutamate receptor 2 1
34998058 10.1016/j.ejmech.2021.114085 Glutamate receptor ionotropic, kainate 1 1
34998058 10.1016/j.ejmech.2021.114085 Glutamate receptor ionotropic, kainate 2 1
34998058 10.1016/j.ejmech.2021.114085 Glutamate receptor ionotropic, kainate 3 1
34998058 10.1016/j.ejmech.2021.114085 Unchecked 1
34998058 10.1016/j.ejmech.2021.114085 Glutamate [NMDA] receptor 1

Data from ChEMBL 36 via Core Engine