Compound Detail
CHEMBL4110535
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COc1cc(C(O)P(=O)(O)CC[C@@H](N)C(=O)O)cc([N+](=O)[O-])c1OCC(=O)O
Basic Information
| ChEMBL ID | CHEMBL4110535 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OCWGTIQPGGIBEM-ZSYIFEHUSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
422.3
MW (Da)
0.13
ALogP
9
HBA
5
HBD
219.8
PSA (Ų)
0.18
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 4 CHEMBL2787 | EC50 | 6.55 | 6.55 | 280.0 | 1 |
| Metabotropic glutamate receptor 8 CHEMBL2718 | EC50 | 5.43 | 5.43 | 3720.0 | 1 |
| Metabotropic glutamate receptor 6 CHEMBL3842 | EC50 | 5.22 | 5.22 | 5950.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 4 | EC50 | = | 280.0 | nM | 6.55 | Pharmacological Assay: Metabotropic glutamate receptors were transiently transfe... | - |
| Metabotropic glutamate receptor 8 | EC50 | = | 3720.0 | nM | 5.43 | Pharmacological Assay: Metabotropic glutamate receptors were transiently transfe... | - |
| Metabotropic glutamate receptor 6 | EC50 | = | 5950.0 | nM | 5.22 | Pharmacological Assay: Metabotropic glutamate receptors were transiently transfe... | - |
Data from ChEMBL 36 via Core Engine