Compound Detail
CHEMBL121514
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C=C(c1ccc(OCCc2ccccc2)c(C)c1)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O
Basic Information
| ChEMBL ID | CHEMBL121514 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MLEJBRLVIARWIU-MZKRTTBSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
409.5
MW (Da)
3.39
ALogP
4
HBA
3
HBD
95.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, kainate 2 CHEMBL3683 | Ki | 6.89 | 6.89 | 129.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, kainate 2 | Ki | = | 129.3 | nM | 6.89 | Inhibition of [3H]kainate binding at ionotropic glutamate receptor kainate 2 | 8809152 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8809152 | 10.1021/jm960155a | Glutamate receptor ionotropic, kainate 2 | 4 |
Data from ChEMBL 36 via Core Engine