Compound Detail
CHEMBL333519
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Basic Information
| ChEMBL ID | CHEMBL333519 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GLDRBCJXSGSXEU-JKBXLQNXSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
203.2
MW (Da)
-0.40
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 7.78
Ki 2 meas. best 7.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 CHEMBL2851 | EC50 | 7.78 | 7.0667 | 16.6 | 3 |
| Metabotropic glutamate receptor 2 CHEMBL2851 | Ki | 7.65 | 7.65 | 22.5 | 1 |
| Metabotropic glutamate receptor 3 CHEMBL3067 | Ki | 7.38 | 7.38 | 41.7 | 1 |
| Metabotropic glutamate receptor 3 CHEMBL3067 | EC50 | 7.09 | 7.09 | 80.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 | EC50 | = | 16.6 | nM | 7.78 | Agonist activity against Metabotropic glutamate receptor 2 expressed in CHO cell... | 11123999 |
| Metabotropic glutamate receptor 2 | Ki | = | 22.5 | nM | 7.65 | Tested for binding affinity against Metabotropic glutamate receptor 2 in CHO cel... | 11123999 |
| Metabotropic glutamate receptor 2 | EC50 | = | 34.2 | nM | 7.47 | Agonist activity against Metabotropic glutamate receptor 2 expressed in CHO cell... | 11123999 |
| Metabotropic glutamate receptor 3 | Ki | = | 41.7 | nM | 7.38 | Tested for binding affinity against Metabotropic glutamate receptor 3 in CHO cel... | 11123999 |
| Metabotropic glutamate receptor 3 | EC50 | = | 80.9 | nM | 7.09 | Agonist potency against cloned Metabotropic glutamate receptor 3 | 11123999 |
| Metabotropic glutamate receptor 2 | EC50 | = | 1120.0 | nM | 5.95 | Agonist activity against Metabotropic glutamate receptor 2 expressed in CHO cell... | 11123999 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11123999 | 10.1021/jm000346k | Metabotropic glutamate receptor 2 | 7 |
| 11123999 | 10.1021/jm000346k | Metabotropic glutamate receptor 3 | 7 |
| 12166935 | 10.1021/jm0110486 | Metabotropic glutamate receptor 1 | 1 |
| 12166935 | 10.1021/jm0110486 | Metabotropic glutamate receptor 5 | 1 |
| 12166935 | 10.1021/jm0110486 | Metabotropic glutamate receptor 2 | 1 |
| 12166935 | 10.1021/jm0110486 | Metabotropic glutamate receptor 3 | 1 |
| 12166935 | 10.1021/jm0110486 | Metabotropic glutamate receptor 4 | 1 |
| 12166935 | 10.1021/jm0110486 | Metabotropic glutamate receptor 6 | 1 |
| 12166935 | 10.1021/jm0110486 | Metabotropic glutamate receptor 7 | 1 |
Data from ChEMBL 36 via Core Engine