Compound Detail
CHEMBL134749
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Basic Information
| ChEMBL ID | CHEMBL134749 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SGRJLTOOQLQDRH-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
354.2
MW (Da)
0.39
ALogP
5
HBA
5
HBD
186.5
PSA (Ų)
0.31
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 4.41
IC50 1 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 CHEMBL5098 | IC50 | 9.3 | 9.3 | 0.5 | 1 |
| Metabotropic glutamate receptor 3 CHEMBL2888 | EC50 | 4.41 | 4.35 | 39000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 | IC50 | = | 0.5 | nM | 9.3 | Inhibitory concentration against rat brain NAALADase (Folate hydrolase) | 11708918 |
| Metabotropic glutamate receptor 3 | EC50 | = | 39000.0 | nM | 4.41 | Agonist potency against cloned Metabotropic glutamate receptor 3 | 10715144 |
| Metabotropic glutamate receptor 3 | EC50 | = | 45000.0 | nM | 4.35 | Agonist potency against cloned Metabotropic glutamate receptor 3 | 10715144 |
| Metabotropic glutamate receptor 3 | EC50 | = | 51000.0 | nM | 4.29 | Agonist potency against cloned Metabotropic glutamate receptor 3 | 10715144 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10715144 | 10.1021/jm9905559 | Unchecked | 3 |
| 10715144 | 10.1021/jm9905559 | Metabotropic glutamate receptor 3 | 3 |
| 11708918 | 10.1021/jm0001774 | Glutamate carboxypeptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine