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Compound Detail

CHEMBL340591

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O=C(O)C1=NO[C@H]2[C@@H]1CN[C@@H]2C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL340591
Phase Preclinical
Structure Type MOL
InChI Key ULOMWNFIAPFOOE-ZBCLXGQLSA-N
3
Targets
10
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names

Molecular Properties

200.2
MW (Da)
-1.50
ALogP
5
HBA
3
HBD
108.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H8N2O5
MW 200.15
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness 0.60

Activity Summary

IC50 7 meas. best 4.95
EC50 3 meas.

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
 IC50 4.95 4.7233 11200.0 3
Glutamate NMDA receptor
CHEMBL1907608
 IC50 4.64 4.64 23000.0 1
Glutamate receptor ionotropic, kainate
CHEMBL2094119
 IC50 4.32 4.27 48000.0 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate receptor ionotropic, AMPA IC50 = 11200.0 nM 4.95 Binding affinity against Ionotropic glutamate receptor AMPA using [3H]AMPA as ra... 10514280
Glutamate NMDA receptor IC50 = 23000.0 nM 4.64 Compound was evaluated for binding affinity at N-methyl-D-aspartate glutamate re... 9748350
Glutamate receptor ionotropic, AMPA IC50 = 24700.0 nM 4.61 Compound was evaluated for binding affinity at Ionotropic glutamate receptor AMP... 9748350
Glutamate receptor ionotropic, AMPA IC50 = 24700.0 nM 4.61 Binding affinity against Ionotropic glutamate receptor AMPA using [3H]AMPA as ra... 10514280
Glutamate receptor ionotropic, kainate IC50 = 48000.0 nM 4.32 Compound was evaluated for binding affinity at Ionotropic glutamate receptor kai... 9748350
Glutamate receptor ionotropic, kainate IC50 = 48000.0 nM 4.32 Binding affinity against Ionotropic glutamate receptor kainate using [3H]KAIN as... 10514280
Glutamate receptor ionotropic, kainate IC50 = 67000.0 nM 4.17 Binding affinity against Ionotropic glutamate receptor kainate using [3H]KAIN as... 10514280

Literature References

PubMed DOI Target Context # Activities
9748350 10.1021/jm9803020 Mus musculus 8
10514280 10.1021/jm991081g Mus musculus 6
9748350 10.1021/jm9803020 Unchecked 3
10514280 10.1021/jm991081g Glutamate receptor ionotropic, AMPA 3
10514280 10.1021/jm991081g Glutamate receptor ionotropic, kainate 3
10514280 10.1021/jm991081g Glutamate NMDA receptor 3
10514280 10.1021/jm991081g Rattus norvegicus 3
10514280 10.1021/jm991081g Unchecked 3
10514280 10.1021/jm991081g ADMET 3
9748350 10.1021/jm9803020 Glutamate NMDA receptor 2
9748350 10.1021/jm9803020 Glutamate receptor ionotropic, AMPA 1
9748350 10.1021/jm9803020 Glutamate receptor ionotropic, kainate 1

Data from ChEMBL 36 via Core Engine