Compound Detail
CHEMBL3940264
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Fc1ccc([C@H]2CC[C@H](NCc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(F)c1
Basic Information
| ChEMBL ID | CHEMBL3940264 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SHCDJPPVFXPBFQ-RZDIXWSQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
464.5
MW (Da)
5.79
ALogP
4
HBA
1
HBD
42.2
PSA (Ų)
0.47
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 CHEMBL5137 | EC50 | 7.08 | 7.08 | 83.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 | EC50 | = | 83.0 | nM | 7.08 | Positive allosteric modulation of human mGlu2 receptor expressed in CHO cell mem... | 27579727 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27579727 | 10.1021/acs.jmedchem.6b00913 | Metabotropic glutamate receptor 2 | 2 |
| 27579727 | 10.1021/acs.jmedchem.6b00913 | No relevant target | 2 |
| 27579727 | 10.1021/acs.jmedchem.6b00913 | ADMET | 2 |
| 27579727 | 10.1021/acs.jmedchem.6b00913 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine