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Compound Detail

CHEMBL268284

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O=C(O)Cn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3cccc3)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL268284
Phase Preclinical
Structure Type MOL
InChI Key KTYABWSAGQKAPP-UHFFFAOYSA-N
6
Targets
7
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

330.3
MW (Da)
0.47
ALogP
7
HBA
2
HBD
140.2
PSA (Ų)
0.40
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H10N4O6
MW 330.26
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.31

Activity Summary

Ki 7 meas. best 7.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2096617
 Ki 7.16 7.16 70.0 1
Glutamate receptor ionotropic AMPA
CHEMBL2096670
 Ki 7.16 7.16 70.0 2
Glutamate receptor ionotropic kainate
CHEMBL2109241
 Ki 6.39 6.39 410.0 1
Glutamate receptor ionotropic, kainate 1
CHEMBL1918
 Ki 6.28 6.28 530.0 1
Glutamate receptor ionotropic, kainate 5
CHEMBL2675
 Ki 5.89 5.89 1300.0 1
Glutamate receptor ionotropic, kainate 2
CHEMBL3683
 Ki 5.41 5.41 3900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate receptor ionotropic AMPA Ki = 70.0 nM 7.16 Displacement of [3H]AMPA from AMPA receptor -
Glutamate receptor ionotropic, AMPA Ki = 70.0 nM 7.16 Compound was tested for binding affinity against Ionotropic glutamate receptor A... -
Glutamate receptor ionotropic AMPA Ki = 70.0 nM 7.16 In vitro binding affinity against AMPA receptor by [3H]AMPA displacement. -
Glutamate receptor ionotropic kainate Ki = 410.0 nM 6.39 Compound was tested for binding affinity against Ionotropic glutamate receptor k... -
Glutamate receptor ionotropic, kainate 1 Ki = 530.0 nM 6.28 Binding affinity towards cloned human GluR5 subunit stably expressed in cultured... 12127516
Glutamate receptor ionotropic, kainate 5 Ki = 1300.0 nM 5.89 Binding affinity towards cloned human Kai-2 subunit stably expressed in cultured... 12127516
Glutamate receptor ionotropic, kainate 2 Ki = 3900.0 nM 5.41 Binding affinity for human GluR6 expressed in HEK293 cells using [3]H-kainate 12127516

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(96)00534-3 Mus musculus 2
12127516 10.1016/s0960-894x(02)00335-9 Glutamate receptor ionotropic, kainate 1 1
12127516 10.1016/s0960-894x(02)00335-9 Glutamate receptor ionotropic, kainate 2 1
12127516 10.1016/s0960-894x(02)00335-9 Glutamate receptor ionotropic, kainate 3 1
12127516 10.1016/s0960-894x(02)00335-9 Glutamate receptor ionotropic, kainate 5 1
- 10.1016/S0960-894X(97)00170-4 Glutamate receptor ionotropic AMPA 1
- 10.1016/S0960-894X(96)00534-3 Glutamate receptor ionotropic, AMPA 1
- 10.1016/S0960-894X(96)00534-3 Glutamate receptor ionotropic, NMDA 2C 1
- 10.1016/S0960-894X(96)00534-3 Glutamate receptor ionotropic kainate 1
- 10.1016/S0960-894X(97)00428-9 Glutamate receptor ionotropic AMPA 1

Data from ChEMBL 36 via Core Engine