Compound Detail
CHEMBL3947764
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Basic Information
| ChEMBL ID | CHEMBL3947764 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LYDKDODJIBQNLK-UHFFFAOYSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
414.5
MW (Da)
5.08
ALogP
4
HBA
0
HBD
33.4
PSA (Ų)
0.58
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.8
Ki 2 meas. best 8.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 CHEMBL5137 | Ki | 8.12 | 8.12 | 7.6 | 2 |
| Metabotropic glutamate receptor 2 CHEMBL5137 | EC50 | 7.8 | 7.74 | 16.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 | Ki | = | 7.586 | nM | 8.12 | Displacement of [3H]JNJ-46281222 from human mGlu2 receptor expressed in CHOK1 ce... | 29494768 |
| Metabotropic glutamate receptor 2 | Ki | = | 7.586 | nM | 8.12 | Displacement of [3H]JNJ-46281222 from human mGlu2 receptor expressed in CHOK1 ce... | 29494768 |
| Metabotropic glutamate receptor 2 | EC50 | = | 16.0 | nM | 7.8 | Positive allosteric modulator activity at mGluR2 receptor (unknown origin) asses... | 36206553 |
| Metabotropic glutamate receptor 2 | EC50 | = | 18.2 | nM | 7.74 | Positive allosteric modulation of human mGlu2 receptor expressed in CHOK1 cell m... | 29494768 |
| Metabotropic glutamate receptor 2 | EC50 | = | 21.0 | nM | 7.68 | Positive allosteric modulation of human mGlu2 receptor expressed in CHO cell mem... | 27579727 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29494768 | 10.1021/acs.jmedchem.8b00051 | Metabotropic glutamate receptor 2 | 8 |
| 27579727 | 10.1021/acs.jmedchem.6b00913 | Metabotropic glutamate receptor 2 | 2 |
| 27579727 | 10.1021/acs.jmedchem.6b00913 | No relevant target | 2 |
| 27579727 | 10.1021/acs.jmedchem.6b00913 | ADMET | 2 |
| 29494768 | 10.1021/acs.jmedchem.8b00051 | Unchecked | 2 |
| 27579727 | 10.1021/acs.jmedchem.6b00913 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 28704052 | 10.1021/acs.jmedchem.7b00669 | CHO-K1 | 1 |
| 30721063 | 10.1021/acs.jmedchem.8b01651 | Metabotropic glutamate receptor 2 | 1 |
| 36206553 | 10.1021/acs.jmedchem.2c00969 | Metabotropic glutamate receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine