Compound Detail
CHEMBL38499
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Basic Information
| ChEMBL ID | CHEMBL38499 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RCCMXKJGURLWPB-BYPYZUCNSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
159.1
MW (Da)
-0.57
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 1 CHEMBL3772 | Ki | 6.82 | 6.82 | 150.0 | 1 |
| Metabotropic glutamate receptor 2 CHEMBL5137 | Ki | 6.64 | 6.64 | 230.0 | 1 |
| Glutamate receptor ionotropic, kainate 1 CHEMBL1918 | Ki | 6.57 | 6.57 | 270.0 | 1 |
| Glutamate receptor ionotropic, kainate 2 CHEMBL3683 | Ki | 6.35 | 6.35 | 450.0 | 1 |
| Vesicular glutamate transporter 3 CHEMBL3472 | Ki | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 1 | Ki | = | 150.0 | nM | 6.82 | Agonist potency against cloned human metabotropic glutamate receptor 1 | 10893301 |
| Metabotropic glutamate receptor 2 | Ki | = | 230.0 | nM | 6.64 | Agonist potency against cloned Metabotropic glutamate receptor 2 (mGluR-2). | 10893301 |
| Glutamate receptor ionotropic, kainate 1 | Ki | = | 270.0 | nM | 6.57 | Binding affinity of compound was determined against Ionotropic glutamate recepto... | 10969973 |
| Glutamate receptor ionotropic, kainate 2 | Ki | = | 450.0 | nM | 6.35 | Binding affinity of compound was determined against Ionotropic glutamate recepto... | 10969973 |
| Vesicular glutamate transporter 3 | Ki | = | 3000.0 | nM | 5.52 | Evaluated for competitive inhibition against Vesicular glutamate transporter (VG... | 12014964 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10229625 | 10.1021/jm980571q | Metabotropic glutamate receptor 1 | 1 |
| 10229625 | 10.1021/jm980571q | Metabotropic glutamate receptor 2 | 1 |
| 12014964 | 10.1021/jm010261z | Vesicular glutamate transporter 3 | 1 |
| 10893301 | 10.1021/jm000007r | Metabotropic glutamate receptor 1 | 1 |
| 10893301 | 10.1021/jm000007r | Metabotropic glutamate receptor 2 | 1 |
| 10893301 | 10.1021/jm000007r | Metabotropic glutamate receptor 4 | 1 |
| 10969973 | 10.1016/s0960-894x(00)00346-2 | Glutamate receptor ionotropic, kainate 1 | 1 |
| 10969973 | 10.1016/s0960-894x(00)00346-2 | Glutamate receptor ionotropic, kainate 2 | 1 |
| 10969973 | 10.1016/s0960-894x(00)00346-2 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine