Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL2092841

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C(O)C1Cc2c(O)noc2CN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2092841
Phase Preclinical
Structure Type MOL
InChI Key QOFAMUTZWHXYLI-UHFFFAOYSA-N
8
Targets
9
Activities
3
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

184.2
MW (Da)
-0.52
ALogP
5
HBA
3
HBD
95.6
PSA (Ų)
0.54
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 C7H8N2O4
MW 184.15
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness 0.33

Activity Summary

Ki 7 meas. best 6.44
EC50 1 meas. best 4.65
IC50 1 meas. best 6.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor 1
CHEMBL3753
 Ki 6.44 6.44 360.0 1
Unchecked
CHEMBL612545
 IC50 6.33 6.33 470.0 1
Glutamate receptor 2
CHEMBL4016
 Ki 6.31 6.31 494.0 1
Glutamate receptor 2
CHEMBL3503
 Ki 6.22 6.22 600.0 1
Glutamate receptor 4
CHEMBL3505
 Ki 6.19 6.19 640.0 1
Glutamate receptor 3
CHEMBL3504
 Ki 6.08 6.08 840.0 1
Glutamate receptor ionotropic, kainate 1
CHEMBL2919
 Ki 5.0 5.0 10100.0 1
Glutamate receptor 2
CHEMBL3503
 EC50 4.65 4.65 22300.0 1
Glutamate receptor ionotropic, kainate 3
CHEMBL3744
 Ki 4.27 4.27 54000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate receptor 1 Ki = 360.0 nM 6.44 Displacement of [3H[AMPA from rat recombinant GluA1o expressed in sS9 cells 21067182
Unchecked IC50 = 470.0 nM 6.33 Displacement of [3H]AMPA from AMPA receptor in rat brain membrane 21067182
Glutamate receptor 2 Ki = 494.0 nM 6.31 Displacement of [3H]AMPA from GluA2-S1S2 receptor 21067182
Glutamate receptor 2 Ki = 600.0 nM 6.22 Displacement of [3H[AMPA from rat recombinant GluA2(R)o expressed in sS9 cells 21067182
Glutamate receptor 4 Ki = 640.0 nM 6.19 Displacement of [3H[AMPA from rat recombinant GluA4o expressed in sS9 cells 21067182
Glutamate receptor 3 Ki = 840.0 nM 6.08 Displacement of [3H[AMPA from rat recombinant GluA3o expressed in sS9 cells 21067182
Glutamate receptor ionotropic, kainate 1 Ki = 10100.0 nM 5.0 Displacement of [3H[SYM2081 from rat recombinant GluK1(Q)1b expressed in sS9 cel... 21067182
Glutamate receptor 2 EC50 = 22300.0 nM 4.65 Agonist activity at rat recombinant GluA2(Q)i expressed in Xenopus laevis oocyte... 21067182
Glutamate receptor ionotropic, kainate 3 Ki = 54000.0 nM 4.27 Displacement of [3H[SYM2081 from rat recombinant GluK3a expressed in sS9 cells 21067182

Literature References

PubMed DOI Target Context # Activities
21067182 10.1021/jm101218a Glutamate receptor 2 3
21067182 10.1021/jm101218a Unchecked 2
21067182 10.1021/jm101218a Glutamate receptor 1 2
21067182 10.1021/jm101218a Glutamate receptor 3 2
21067182 10.1021/jm101218a Glutamate receptor 4 2
21067182 10.1021/jm101218a Glutamate NMDA receptor 1
21067182 10.1021/jm101218a Glutamate receptor ionotropic, kainate 1 1
21067182 10.1021/jm101218a Glutamate receptor ionotropic, kainate 2 1
21067182 10.1021/jm101218a Glutamate receptor ionotropic, kainate 3 1

Data from ChEMBL 36 via Core Engine