Compound Detail
CHEMBL88999
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Basic Information
| ChEMBL ID | CHEMBL88999 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QBHIOYZCUZBIEN-RSWQVWFLSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
203.2
MW (Da)
-0.79
ALogP
4
HBA
3
HBD
100.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 CHEMBL5137 | Ki | 8.41 | 8.41 | 3.9 | 1 |
| Metabotropic glutamate receptor 3 CHEMBL2888 | Ki | 8.12 | 8.12 | 7.6 | 1 |
| Metabotropic glutamate receptor 6 CHEMBL4573 | Ki | 5.62 | 5.62 | 2400.0 | 1 |
| Metabotropic glutamate receptor 8 CHEMBL3228 | Ki | 5.14 | 5.14 | 7300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 | Ki | = | 3.9 | nM | 8.41 | Agonist potency against cloned Metabotropic glutamate receptor 2 (mGluR-2). | 10893301 |
| Metabotropic glutamate receptor 3 | Ki | = | 7.6 | nM | 8.12 | Agonist potency against cloned Metabotropic glutamate receptor 3 (mGluR-3). | 10893301 |
| Metabotropic glutamate receptor 6 | Ki | = | 2400.0 | nM | 5.62 | Agonist potency against cloned Metabotropic glutamate receptor 6 (mGluR-6). | 10893301 |
| Metabotropic glutamate receptor 8 | Ki | = | 7300.0 | nM | 5.14 | Agonist potency against cloned Metabotropic glutamate receptor 8 (mGluR-8). | 10893301 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 3 | 1 |
| 10893301 | 10.1021/jm000007r | Metabotropic glutamate receptor 4 | 1 |
| 10893301 | 10.1021/jm000007r | Metabotropic glutamate receptor 5 | 1 |
| 10893301 | 10.1021/jm000007r | Metabotropic glutamate receptor 6 | 1 |
| 10893301 | 10.1021/jm000007r | Metabotropic glutamate receptor 7 | 1 |
| 10893301 | 10.1021/jm000007r | Metabotropic glutamate receptor 8 | 1 |
Data from ChEMBL 36 via Core Engine