Compound Detail
CHEMBL188425
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N[C@]1(C(=O)O)[C@H]2[C@@H](C[C@H]1OCc1cccc(Oc3ccccc3)c1)[C@]2(F)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL188425 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HNMYCSRCDSCLRO-ZUKOONMSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
401.4
MW (Da)
2.59
ALogP
5
HBA
3
HBD
119.1
PSA (Ų)
0.65
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 CHEMBL2851 | Ki | 8.15 | 8.15 | 7.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 | Ki | = | 7.15 | nM | 8.15 | Binding affinity towards metabotropic glutamate receptor 2 of rat expressed in C... | 15317467 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15317467 | 10.1021/jm0400294 | Metabotropic glutamate receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine