Compound Detail
CHEMBL4101241
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Basic Information
| ChEMBL ID | CHEMBL4101241 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BHTUUDSDKHJFKW-QHGLUPRGSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
332.2
MW (Da)
0.97
ALogP
6
HBA
4
HBD
164.0
PSA (Ų)
0.33
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 8 CHEMBL3228 | EC50 | 5.8 | 5.525 | 1600.0 | 2 |
| Metabotropic glutamate receptor 4 CHEMBL2736 | EC50 | 5.55 | 5.515 | 2800.0 | 2 |
| Metabotropic glutamate receptor 6 CHEMBL4573 | EC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 8 | EC50 | = | 1600.0 | nM | 5.8 | Agonist activity at mGlu8 (unknown origin) expressed in HEK293 cells coexpressin... | 29397723 |
| Metabotropic glutamate receptor 4 | EC50 | = | 2800.0 | nM | 5.55 | Agonist activity at mGlu4 (unknown origin) expressed in HEK293 cells coexpressin... | 29397723 |
| Metabotropic glutamate receptor 4 | EC50 | = | 3300.0 | nM | 5.48 | Agonist activity at mGlu4 (unknown origin) expressed in HEK293 cells coexpressin... | 29397723 |
| Metabotropic glutamate receptor 6 | EC50 | = | 4000.0 | nM | 5.4 | Agonist activity at mGlu6 (unknown origin) expressed in HEK293 cells coexpressin... | 29397723 |
| Metabotropic glutamate receptor 8 | EC50 | = | 5600.0 | nM | 5.25 | Agonist activity at mGlu8 (unknown origin) expressed in HEK293 cells coexpressin... | 29397723 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29397723 | 10.1021/acs.jmedchem.7b01438 | Metabotropic glutamate receptor 4 | 2 |
| 29397723 | 10.1021/acs.jmedchem.7b01438 | Metabotropic glutamate receptor 8 | 2 |
| 29397723 | 10.1021/acs.jmedchem.7b01438 | Metabotropic glutamate receptor 6 | 2 |
| 29397723 | 10.1021/acs.jmedchem.7b01438 | Unchecked | 2 |
| 29397723 | 10.1021/acs.jmedchem.7b01438 | Metabotropic glutamate receptor 7 | 1 |
Data from ChEMBL 36 via Core Engine