Compound Detail
CHEMBL90675
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N[C@H](C(=O)O)[C@H]1[C@@H](CCC2c3ccccc3Oc3ccccc32)[C@@H]1C(=O)O
Basic Information
| ChEMBL ID | CHEMBL90675 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MBCWMEYAVJTLQS-FCLVOEFKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
3.06
ALogP
4
HBA
3
HBD
109.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 CHEMBL5137 | Ki | 7.12 | 7.12 | 75.0 | 1 |
| Metabotropic glutamate receptor 3 CHEMBL2888 | Ki | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 | Ki | = | 75.0 | nM | 7.12 | Antagonist potency against cloned Metabotropic glutamate receptor 2 | 10893301 |
| Metabotropic glutamate receptor 3 | Ki | = | 200.0 | nM | 6.7 | Agonist potency against cloned Metabotropic glutamate receptor 3 (mGluR-3). | 10893301 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10893301 | 10.1021/jm000007r | Metabotropic glutamate receptor 2 | 1 |
| 10893301 | 10.1021/jm000007r | Metabotropic glutamate receptor 3 | 1 |
Data from ChEMBL 36 via Core Engine