Compound Detail
CHEMBL187941
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CCC(CC)COC(=O)[C@@H]1C[C@H]2C[C@@H](Nc3ccccc3-c3nn[nH]n3)CC[C@H]2CN1
Basic Information
| ChEMBL ID | CHEMBL187941 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQDBQKHPLFHNIW-NYUBLWNDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
426.6
MW (Da)
3.40
ALogP
7
HBA
3
HBD
104.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 4.86 | 4.86 | 13710.0 | 1 |
| Glutamate receptor ionotropic, kainate 1 CHEMBL1918 | Ki | 4.5 | 4.5 | 31750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 13710.0 | nM | 4.86 | Inhibition of [3H]KA binding to human iontropic glutamate receptors 5 and 6 | 15974569 |
| Glutamate receptor ionotropic, kainate 1 | Ki | = | 31750.0 | nM | 4.5 | Inhibition of [3H]-KA binding to iontropic glutamate receptor 5 | 15974569 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15974569 | 10.1021/jm0491952 | Unchecked | 3 |
| 15974569 | 10.1021/jm0491952 | Glutamate receptor 2 | 1 |
| 15974569 | 10.1021/jm0491952 | Glutamate receptor ionotropic, kainate 1 | 1 |
| 15974569 | 10.1021/jm0491952 | Glutamate receptor ionotropic, kainate 2 | 1 |
Data from ChEMBL 36 via Core Engine