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Compound Detail

CHEMBL291274

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Cc1onc(OCC(=O)O)c1CC(N)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL291274
Phase Preclinical
Structure Type MOL
InChI Key OKLRJJIBPYTEDZ-UHFFFAOYSA-N
3
Targets
8
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

244.2
MW (Da)
-0.60
ALogP
6
HBA
3
HBD
135.9
PSA (Ų)
0.60
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 C9H12N2O6
MW 244.20
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.42

Activity Summary

IC50 8 meas. best 5.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
 IC50 5.1 4.4 8000.0 3
Unchecked
CHEMBL612545
 IC50 4.4 4.225 40000.0 2
Glutamate receptor ionotropic AMPA
CHEMBL2096670
 IC50 4.06 4.035 88000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate receptor ionotropic, AMPA IC50 = 8000.0 nM 5.1 In vitro inhibition of [3H]CNQX binding to Ionotropic glutamate receptor AMPA. 8648608
Unchecked IC50 = 40000.0 nM 4.4 Compound was evaluated for the inhibition of the binding of radioligand [3H]KAIN... 1825114
Glutamate receptor ionotropic AMPA IC50 = 88000.0 nM 4.06 Inhibition of the binding of radioligand [3H]AMPA in the presence at high-affini... 1825114
Glutamate receptor ionotropic, AMPA IC50 = 90000.0 nM 4.05 In vitro inhibition of [3H]AMPA binding to Ionotropic glutamate receptor AMPA. 8648608
Unchecked IC50 = 90000.0 nM 4.05 Inhibition of the binding of radioligand [3H]AMPA in the presence at Non N-methy... 1825114
Glutamate receptor ionotropic, AMPA IC50 = 90000.0 nM 4.05 Binding affinity by measuring displacement of [3H]AMPA from Ionotropic glutamate... -
Glutamate receptor ionotropic AMPA IC50 = 98000.0 nM 4.01 Inhibition of the binding of radioligand [3H]AMPA in the presence at low-affinit... 1825114

Literature References

PubMed DOI Target Context # Activities
1825114 10.1021/jm00105a019 Glutamate receptor ionotropic AMPA 4
8648608 10.1021/jm950826p Glutamate receptor ionotropic, AMPA 2
1825114 10.1021/jm00105a019 Unchecked 2
8648608 10.1021/jm950826p Glutamate NMDA receptor 1
8648608 10.1021/jm950826p Glutamate receptor ionotropic, kainate 1
8648608 10.1021/jm950826p Rattus norvegicus 1
- 10.1016/S0960-894X(00)80035-9 Glutamate NMDA receptor 1
- 10.1016/S0960-894X(00)80035-9 Glutamate receptor ionotropic, AMPA 1
- 10.1016/S0960-894X(00)80035-9 Glutamate receptor ionotropic, kainate 1

Data from ChEMBL 36 via Core Engine