Compound Detail
CHEMBL107066
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Basic Information
| ChEMBL ID | CHEMBL107066 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LEMRHTTWKDVQEI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
228.2
MW (Da)
3.11
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL4321 | IC50 | 5.21 | 5.21 | 6100.0 | 1 |
| Gamma-hydroxybutyrate receptor CHEMBL3558 | IC50 | 4.79 | 4.79 | 16300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 6100.0 | nM | 5.21 | Inhibition of mouse COX2-mediated 2-arachidonoylglycerol oxygenation preincubate... | 22984634 |
| Gamma-hydroxybutyrate receptor | IC50 | = | 16300.0 | nM | 4.79 | Displacement of [3H]NCS-382 (16 nM) from GHB receptor of rat cerebrocortical mem... | 15927467 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22984634 | 10.1021/ml3001616 | Prostaglandin G/H synthase 2 | 3 |
| 9379433 | 10.1021/jm9703404 | Regulatory protein E2 | 1 |
| 15927467 | 10.1016/j.bmcl.2005.05.011 | Gamma-hydroxybutyrate receptor | 1 |
| 15927467 | 10.1016/j.bmcl.2005.05.011 | GABA-A receptor; anion channel | 1 |
| 15927467 | 10.1016/j.bmcl.2005.05.011 | GABA B receptor | 1 |
Data from ChEMBL 36 via Core Engine