Compound Detail
CHEMBL361837
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CC1(C2CCCC2)Cc2cc(OCCCCOc3ccc(-c4nn[nH]n4)cc3)c(Cl)c(Cl)c2C1=O
Basic Information
| ChEMBL ID | CHEMBL361837 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FPPKJNIYDBNWAJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
515.4
MW (Da)
6.35
ALogP
6
HBA
1
HBD
90.0
PSA (Ų)
0.33
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 CHEMBL5137 | EC50 | 6.65 | 6.65 | 225.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 | EC50 | = | 225.0 | nM | 6.65 | Binding affinity against metabotropic glutamate receptor 2 | 15745798 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15745798 | 10.1016/j.bmcl.2005.01.077 | Metabotropic glutamate receptor 2 | 1 |
| 15745798 | 10.1016/j.bmcl.2005.01.077 | Cell line | 1 |
Data from ChEMBL 36 via Core Engine