Compound Detail
CHEMBL4080400
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N[C@@H](CCP(=O)(O)C(O)c1c([N+](=O)[O-])cccc1[N+](=O)[O-])C(=O)O
Basic Information
| ChEMBL ID | CHEMBL4080400 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CPZRJQKWUIYUKI-OCAOPBLFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
363.2
MW (Da)
0.57
ALogP
8
HBA
4
HBD
207.1
PSA (Ų)
0.29
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 4 CHEMBL2736 | EC50 | 5.75 | 5.75 | 1760.0 | 1 |
| Metabotropic glutamate receptor 8 CHEMBL3228 | EC50 | 5.54 | 5.54 | 2900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 4 | EC50 | = | 1760.0 | nM | 5.75 | Agonist activity at mGlu4 (unknown origin) expressed in HEK293 cells coexpressin... | 29397723 |
| Metabotropic glutamate receptor 8 | EC50 | = | 2900.0 | nM | 5.54 | 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 | 1 |
| 29397723 | 10.1021/acs.jmedchem.7b01438 | Metabotropic glutamate receptor 8 | 1 |
| 29397723 | 10.1021/acs.jmedchem.7b01438 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine