Compound Detail
CHEMBL4096644
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N[C@@H](CCP(=O)(O)[C@@H](O)c1cc(F)c(O)c([N+](=O)[O-])c1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL4096644 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XLCBJZCNPXZIGH-WRWORJQWSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
352.2
MW (Da)
0.50
ALogP
7
HBA
5
HBD
184.2
PSA (Ų)
0.26
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 4 CHEMBL2736 | EC50 | 5.01 | 5.01 | 9770.0 | 1 |
| Metabotropic glutamate receptor 6 CHEMBL4573 | EC50 | 4.99 | 4.99 | 10200.0 | 1 |
| Metabotropic glutamate receptor 8 CHEMBL3228 | EC50 | 4.77 | 4.77 | 17100.0 | 1 |
| Metabotropic glutamate receptor 7 CHEMBL3777 | EC50 | 4.27 | 4.27 | 53800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 4 | EC50 | = | 9770.0 | nM | 5.01 | Agonist activity at mGlu4 (unknown origin) expressed in HEK293 cells coexpressin... | 29397723 |
| Metabotropic glutamate receptor 6 | EC50 | = | 10200.0 | nM | 4.99 | Agonist activity at mGlu6 (unknown origin) expressed in HEK293 cells coexpressin... | 29397723 |
| Metabotropic glutamate receptor 8 | EC50 | = | 17100.0 | nM | 4.77 | Agonist activity at mGlu8 (unknown origin) expressed in HEK293 cells coexpressin... | 29397723 |
| Metabotropic glutamate receptor 7 | EC50 | = | 53800.0 | nM | 4.27 | Agonist activity at mGlu7 (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 | 1 |
| 29397723 | 10.1021/acs.jmedchem.7b01438 | Metabotropic glutamate receptor 8 | 1 |
| 29397723 | 10.1021/acs.jmedchem.7b01438 | Metabotropic glutamate receptor 6 | 1 |
| 29397723 | 10.1021/acs.jmedchem.7b01438 | Metabotropic glutamate receptor 7 | 1 |
| 29397723 | 10.1021/acs.jmedchem.7b01438 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine