Compound Detail
CHEMBL4745982
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Basic Information
| ChEMBL ID | CHEMBL4745982 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WMBNMWWQJFWLEY-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
1
PK Parameters
8
Publications
0
Known Names
Molecular Properties
378.4
MW (Da)
4.09
ALogP
4
HBA
1
HBD
79.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 7.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 1 CHEMBL3772 | EC50 | 7.13 | 7.13 | 74.0 | 1 |
| Metabotropic glutamate receptor 4 CHEMBL2736 | EC50 | 6.89 | 6.89 | 128.0 | 1 |
| Metabotropic glutamate receptor 7 CHEMBL3777 | EC50 | 6.75 | 6.75 | 180.0 | 1 |
| Metabotropic glutamate receptor 8 CHEMBL3228 | EC50 | 6.72 | 6.72 | 189.0 | 1 |
| Metabotropic glutamate receptor 5 CHEMBL3227 | EC50 | 5.68 | 5.68 | 2100.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | 0.012 | - | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 1 | EC50 | = | 74.0 | nM | 7.13 | Positive allosteric modulation of human mGluR1 in presence of EC20 concentration... | 33253881 |
| Metabotropic glutamate receptor 4 | EC50 | = | 128.0 | nM | 6.89 | Positive allosteric modulation of human mGluR4 by calcium mobilization assay | 33253881 |
| Metabotropic glutamate receptor 7 | EC50 | = | 180.0 | nM | 6.75 | Positive allosteric modulation of human mGluR7 in presence of EC20 concentration... | 33253881 |
| Metabotropic glutamate receptor 8 | EC50 | = | 189.0 | nM | 6.72 | Positive allosteric modulation of mGluR8 (unknown origin) by calcium mobilizatio... | 33253881 |
| Metabotropic glutamate receptor 5 | EC50 | = | 2100.0 | nM | 5.68 | Positive allosteric modulation of mGluR5 (unknown origin) by calcium mobilizatio... | 33253881 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33253881 | 10.1016/j.bmcl.2020.127724 | Metabotropic glutamate receptor 5 | 2 |
| 33253881 | 10.1016/j.bmcl.2020.127724 | Metabotropic glutamate receptor 1 | 2 |
| 33253881 | 10.1016/j.bmcl.2020.127724 | Metabotropic glutamate receptor 4 | 2 |
| 33253881 | 10.1016/j.bmcl.2020.127724 | Metabotropic glutamate receptor 7 | 2 |
| 33253881 | 10.1016/j.bmcl.2020.127724 | Metabotropic glutamate receptor 8 | 2 |
| 33253881 | 10.1016/j.bmcl.2020.127724 | ADMET | 2 |
| 33253881 | 10.1016/j.bmcl.2020.127724 | Metabotropic glutamate receptor 2 | 1 |
| 33253881 | 10.1016/j.bmcl.2020.127724 | Metabotropic glutamate receptor 3 | 1 |
Data from ChEMBL 36 via Core Engine