Compound Detail
CHEMBL1812596
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Basic Information
| ChEMBL ID | CHEMBL1812596 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NDLMMSHJCJLPSY-YFKPBYRVSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
255.2
MW (Da)
-0.84
ALogP
6
HBA
3
HBD
118.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.41
EC50 1 meas. best 5.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, kainate 1 CHEMBL2919 | Ki | 8.41 | 8.41 | 3.9 | 1 |
| Glutamate receptor 2 CHEMBL3503 | Ki | 6.33 | 6.33 | 465.0 | 1 |
| Glutamate receptor ionotropic, kainate 3 CHEMBL3744 | Ki | 5.99 | 5.99 | 1022.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.37 | 5.37 | 4230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, kainate 1 | Ki | = | 3.9 | nM | 8.41 | Displacement of [3H]SYM2081 from rat GluK1 expressed in Sf9 cells | 21619066 |
| Glutamate receptor 2 | Ki | = | 465.0 | nM | 6.33 | Displacement of [3H]AMPA from rat GluA2 expressed in Sf9 cells | 21619066 |
| Glutamate receptor ionotropic, kainate 3 | Ki | = | 1022.0 | nM | 5.99 | Displacement of [3H]SYM2081 from rat GluK3 expressed in Sf9 cells | 21619066 |
| Unchecked | EC50 | = | 4230.0 | nM | 5.37 | Agonist activity at Non-desensitized homomeric rat GluK1(Q)1b mutant expressed i... | 21619066 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21619066 | 10.1021/jm2004078 | Unchecked | 8 |
| 29451794 | 10.1021/acs.jmedchem.8b00099 | Rattus norvegicus | 8 |
| 21619066 | 10.1021/jm2004078 | Glutamate receptor ionotropic, kainate 3 | 1 |
| 21619066 | 10.1021/jm2004078 | Glutamate receptor ionotropic, kainate 2 | 1 |
| 21619066 | 10.1021/jm2004078 | Glutamate receptor ionotropic, kainate 1 | 1 |
| 21619066 | 10.1021/jm2004078 | Glutamate receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine