Compound Detail
CHEMBL303415
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O=C(O)Cn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3ccc(CN4CCCCC4)c3)cc21
Basic Information
| ChEMBL ID | CHEMBL303415 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | COZQTFPEKGKCBV-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
427.4
MW (Da)
1.46
ALogP
8
HBA
2
HBD
143.5
PSA (Ų)
0.34
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, kainate 1 CHEMBL1918 | Ki | 6.48 | 6.48 | 330.0 | 1 |
| Glutamate receptor ionotropic, kainate 3 CHEMBL3684 | Ki | 5.24 | 5.24 | 5700.0 | 1 |
| Glutamate receptor ionotropic, kainate 2 CHEMBL3683 | Ki | 4.55 | 4.55 | 28000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, kainate 1 | Ki | = | 330.0 | nM | 6.48 | Binding affinity towards cloned human GluR5 subunit stably expressed in cultured... | 12127516 |
| Glutamate receptor ionotropic, kainate 3 | Ki | = | 5700.0 | nM | 5.24 | Binding affinity towards cloned human GluR7 subunit stably expressed in cultured... | 12127516 |
| Glutamate receptor ionotropic, kainate 2 | Ki | = | 28000.0 | nM | 4.55 | Binding affinity for human GluR6 expressed in HEK293 cells using [3]H-kainate | 12127516 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
Data from ChEMBL 36 via Core Engine