Compound Detail
CHEMBL2171246
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Basic Information
| ChEMBL ID | CHEMBL2171246 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OXMGMNBSFVVJAF-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
368.8
MW (Da)
4.31
ALogP
5
HBA
1
HBD
85.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 4.56 | 4.56 | 27800.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL2949 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
| Fatty-acid amide hydrolase 1 CHEMBL3229 | IC50 | 4.07 | 4.07 | 84800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 27800.0 | nM | 4.56 | Inhibition of human COX2 pre-incubated for 10 mins before substrate addition by ... | 23043222 |
| Prostaglandin G/H synthase 1 | IC50 | = | 30000.0 | nM | 4.52 | Inhibition of ovine COX1 pre-incubated for 10 mins before arachidonic acid subst... | 23043222 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 84800.0 | nM | 4.07 | Inhibition of FAAH in rat brain homogenates pre-incubated for 10 mins before add... | 23043222 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23043222 | 10.1021/jm3011146 | Prostaglandin G/H synthase 2 | 1 |
| 23043222 | 10.1021/jm3011146 | Prostaglandin G/H synthase 1 | 1 |
| 23043222 | 10.1021/jm3011146 | Fatty-acid amide hydrolase 1 | 1 |
Data from ChEMBL 36 via Core Engine