Compound Detail
CHEMBL420262
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CCCCCCCCC[C@@H]1[C@H](C(=O)O)[C@H]1C(N)(CC1c2ccccc2Oc2ccccc21)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL420262 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JHMUTZFKEQDSCJ-FBQMFOLFSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
479.6
MW (Da)
6.18
ALogP
4
HBA
3
HBD
109.8
PSA (Ų)
0.30
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 CHEMBL2851 | IC50 | 5.67 | 5.67 | 2160.0 | 1 |
| Metabotropic glutamate receptor 8 CHEMBL3228 | IC50 | 5.29 | 5.29 | 5180.0 | 1 |
| Metabotropic glutamate receptor 5 CHEMBL3227 | IC50 | 5.27 | 5.27 | 5400.0 | 1 |
| Metabotropic glutamate receptor 1 CHEMBL3772 | IC50 | 5.24 | 5.24 | 5700.0 | 1 |
| Metabotropic glutamate receptor 7 CHEMBL3777 | IC50 | 5.11 | 5.11 | 7820.0 | 1 |
| Metabotropic glutamate receptor 4 CHEMBL2736 | IC50 | 4.7 | 4.7 | 20120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 | IC50 | = | 2160.0 | nM | 5.67 | Antagonistic activity against metabotropic glutamate receptor 2 (mGluR2) was eva... | 9873635 |
| Metabotropic glutamate receptor 8 | IC50 | = | 5180.0 | nM | 5.29 | Antagonistic activity against metabotropic glutamate receptor 8 (mGluR8) was eva... | 9873635 |
| Metabotropic glutamate receptor 5 | IC50 | = | 5400.0 | nM | 5.27 | Antagonistic activity against metabotropic glutamate receptor 5 (mGluR5) was eva... | 9873635 |
| Metabotropic glutamate receptor 1 | IC50 | = | 5700.0 | nM | 5.24 | Antagonistic activity against metabotropic glutamate receptor 1 (mGluR1) was eva... | 9873635 |
| Metabotropic glutamate receptor 7 | IC50 | = | 7820.0 | nM | 5.11 | Antagonistic activity against metabotropic glutamate receptor 7 (mGluR7) was eva... | 9873635 |
| Metabotropic glutamate receptor 4 | IC50 | = | 20120.0 | nM | 4.7 | Antagonistic activity against metabotropic glutamate receptor 4 (mGluR4) was eva... | 9873635 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873635 | 10.1016/s0960-894x(98)00510-1 | Rattus norvegicus | 1 |
| 9873635 | 10.1016/s0960-894x(98)00510-1 | Metabotropic glutamate receptor 2 | 1 |
| 9873635 | 10.1016/s0960-894x(98)00510-1 | Metabotropic glutamate receptor 3 | 1 |
| 9873635 | 10.1016/s0960-894x(98)00510-1 | Metabotropic glutamate receptor 1 | 1 |
| 9873635 | 10.1016/s0960-894x(98)00510-1 | Metabotropic glutamate receptor 5 | 1 |
| 9873635 | 10.1016/s0960-894x(98)00510-1 | Metabotropic glutamate receptor 4 | 1 |
| 9873635 | 10.1016/s0960-894x(98)00510-1 | Metabotropic glutamate receptor 7 | 1 |
| 9873635 | 10.1016/s0960-894x(98)00510-1 | Metabotropic glutamate receptor 8 | 1 |
Data from ChEMBL 36 via Core Engine