Compound Detail
CHEMBL63927
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CN(Cc1ccccc1)Cc1ccn(-c2cc3c(cc2[N+](=O)[O-])[nH]c(=O)c(=O)n3CCC(=O)O)c1
Basic Information
| ChEMBL ID | CHEMBL63927 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IQVBCMPEVJHLKH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
477.5
MW (Da)
2.50
ALogP
8
HBA
2
HBD
143.5
PSA (Ų)
0.21
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, kainate 1 CHEMBL1918 | Ki | 6.37 | 6.37 | 430.0 | 1 |
| Glutamate receptor ionotropic, kainate 2 CHEMBL3683 | Ki | 4.64 | 4.64 | 23000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, kainate 1 | Ki | = | 430.0 | nM | 6.37 | Binding affinity towards cloned human GluR5 subunit stably expressed in cultured... | 12127516 |
| Glutamate receptor ionotropic, kainate 2 | Ki | = | 23000.0 | nM | 4.64 | 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