Compound Detail
CHEMBL361358
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CC1(C2CCCC2)Cc2cc(OCC(=O)Nc3ccc(-c4nn[nH]n4)cc3)c(Cl)c(Cl)c2C1=O
Basic Information
| ChEMBL ID | CHEMBL361358 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RBWXCWNWUNBVQW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
500.4
MW (Da)
5.13
ALogP
6
HBA
2
HBD
109.9
PSA (Ų)
0.49
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 CHEMBL5137 | EC50 | 6.22 | 6.22 | 600.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 100.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | - | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 | EC50 | = | 600.0 | nM | 6.22 | Binding affinity against metabotropic glutamate receptor 2 | 15745798 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15745798 | 10.1016/j.bmcl.2005.01.077 | ADMET | 3 |
| 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