Compound Detail
CHEMBL2021372
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Basic Information
| ChEMBL ID | CHEMBL2021372 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UVZLSWUNCANUPD-SBISGXONSA-N |
5
Targets
9
Activities
3
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
221.2
MW (Da)
-0.78
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.0
IC50 3 meas. best 4.12
Ki 2 meas. best 4.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 CHEMBL3227 | EC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.83 | 5.83 | 1480.0 | 1 |
| Metabotropic glutamate receptor 2 CHEMBL5137 | EC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Metabotropic glutamate receptor 4 CHEMBL2736 | EC50 | 4.7 | 4.7 | 20000.0 | 1 |
| Metabotropic glutamate receptor 2 CHEMBL5137 | Ki | 4.26 | 4.26 | 55000.0 | 1 |
| Metabotropic glutamate receptor 1 CHEMBL3772 | IC50 | 4.12 | 4.12 | 76000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 | EC50 | = | 1000.0 | nM | 6.0 | Concentration required to inhibit mGluR5a receptor | 9873392 |
| Unchecked | EC50 | = | 1480.0 | nM | 5.83 | Concentration required to inhibit mGlu receptor | 9873392 |
| Metabotropic glutamate receptor 2 | EC50 | = | 10000.0 | nM | 5.0 | Concentration required to inhibit mGluR2 receptor | 9873392 |
| Metabotropic glutamate receptor 4 | EC50 | = | 20000.0 | nM | 4.7 | Concentration required to inhibit mGluR4a receptor | 9873392 |
| Metabotropic glutamate receptor 2 | Ki | = | 55000.0 | nM | 4.26 | Partial agonist potency against cloned Metabotropic glutamate receptor 2 | 10893301 |
| Metabotropic glutamate receptor 1 | IC50 | = | 76000.0 | nM | 4.12 | Inhibition of mGluR1b receptor | 21413808 |
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 4 | 1 |
| 10893301 | 10.1021/jm000007r | Metabotropic glutamate receptor 5 | 1 |
| 9873392 | 10.1016/s0960-894x(98)00265-0 | Metabotropic glutamate receptor 5 | 1 |
| 9873392 | 10.1016/s0960-894x(98)00265-0 | Metabotropic glutamate receptor 2 | 1 |
| 9873392 | 10.1016/s0960-894x(98)00265-0 | Metabotropic glutamate receptor 4 | 1 |
| 9873392 | 10.1016/s0960-894x(98)00265-0 | Metabotropic glutamate receptor 1 | 1 |
| 9873392 | 10.1016/s0960-894x(98)00265-0 | Unchecked | 1 |
| 17489573 | 10.1021/jm060950g | Metabotropic glutamate receptor 1 | 1 |
| 21413808 | 10.1021/jm1013693 | Metabotropic glutamate receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine