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Compound Detail

CHEMBL277281

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O=C(O)c1cn2c3c(nc(O)c2n1)-c1ccccc1C3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL277281
Phase Preclinical
Structure Type MOL
InChI Key HXIOSGFYAZOYOJ-UHFFFAOYSA-N
4
Targets
9
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

267.2
MW (Da)
1.70
ALogP
5
HBA
2
HBD
87.7
PSA (Ų)
0.55
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 C14H9N3O3
MW 267.24
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.44

Activity Summary

IC50 9 meas. best 7.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
 IC50 7.54 7.0 29.0 4
Xenopus sp.
CHEMBL612667
 IC50 7.54 7.54 29.0 1
Glutamate receptor ionotropic, kainate
CHEMBL2094119
 IC50 7.52 7.52 30.0 1
Glutamate NMDA receptor
CHEMBL1907608
 IC50 7.08 7.08 83.0 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Xenopus sp. IC50 = 29.0 nM 7.54 Inhibition of currents generated by 50 uM kainate in Xenopus oocytes injected wi... 11354378
Glutamate receptor ionotropic, AMPA IC50 = 29.0 nM 7.54 Antagonistic activity against Ionotropic glutamate receptor AMPA using kainate-e... 11133083
Glutamate receptor ionotropic, kainate IC50 = 30.0 nM 7.52 Inhibitory activity against generation of currents by 50 uM kainate in Xenopus o... 10843235
Glutamate NMDA receptor IC50 = 83.0 nM 7.08 Displacement of [3H]DCKA from glycine NMDA receptor of rat cortical membranes 11354378
Glutamate NMDA receptor IC50 = 83.0 nM 7.08 Binding affinity for N-methyl-D-aspartate glutamate receptor 11133083
Glutamate NMDA receptor IC50 = 83.0 nM 7.08 Displacement of [3H]DCKA from N-methyl-D-aspartate glutamate receptor of rat cor... 10843235
Glutamate receptor ionotropic, AMPA IC50 = 150.0 nM 6.82 Displacement of [3H]AMPA from Ionotropic glutamate receptor AMPA of rat cortical... 11354378
Glutamate receptor ionotropic, AMPA IC50 = 150.0 nM 6.82 Binding affinity for Ionotropic glutamate receptor AMPA 11133083
Glutamate receptor ionotropic, AMPA IC50 = 150.0 nM 6.82 Displacement of [3H]AMPA from Ionotropic glutamate receptor AMPA of rat cortical... 10843235

Literature References

PubMed DOI Target Context # Activities
11354378 10.1016/s0960-894x(01)00180-9 Mus musculus 2
11133083 10.1016/s0960-894x(00)00561-8 Glutamate receptor ionotropic, AMPA 2
10843235 10.1016/s0960-894x(00)00181-5 Mus musculus 2
11354378 10.1016/s0960-894x(01)00180-9 Glutamate receptor ionotropic, AMPA 1
11354378 10.1016/s0960-894x(01)00180-9 Glutamate NMDA receptor 1
11354378 10.1016/s0960-894x(01)00180-9 Xenopus sp. 1
11133083 10.1016/s0960-894x(00)00561-8 Glutamate NMDA receptor 1
11133083 10.1016/s0960-894x(00)00561-8 Mus musculus 1
10843235 10.1016/s0960-894x(00)00181-5 Glutamate receptor ionotropic, AMPA 1
10843235 10.1016/s0960-894x(00)00181-5 Glutamate NMDA receptor 1
10843235 10.1016/s0960-894x(00)00181-5 Glutamate receptor ionotropic, kainate 1

Data from ChEMBL 36 via Core Engine