Compound Detail
CHEMBL99462
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CCC[C@@H]1[C@H](C(=O)O)[C@H]1C(N)(CC1c2ccccc2Oc2ccccc21)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL99462 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VIIKXOMKTCBGQP-XAXZAPFOSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
395.4
MW (Da)
3.84
ALogP
4
HBA
3
HBD
109.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 3 CHEMBL3067 | IC50 | 6.71 | 6.71 | 196.0 | 1 |
| Metabotropic glutamate receptor 8 CHEMBL3228 | IC50 | 5.65 | 5.65 | 2250.0 | 1 |
| Metabotropic glutamate receptor 7 CHEMBL3777 | IC50 | 4.17 | 4.17 | 67820.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 3 | IC50 | = | 196.0 | nM | 6.71 | Antagonistic activity against metabotropic glutamate receptor 3 (mGluR3) was eva... | 9873635 |
| Metabotropic glutamate receptor 8 | IC50 | = | 2250.0 | nM | 5.65 | Antagonistic activity against metabotropic glutamate receptor 8 (mGluR8) was eva... | 9873635 |
| Metabotropic glutamate receptor 7 | IC50 | = | 67820.0 | nM | 4.17 | Antagonistic activity against metabotropic glutamate receptor 7 (mGluR7) 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