Compound Detail
CHEMBL558230
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Basic Information
| ChEMBL ID | CHEMBL558230 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MNOONXYZUAAMRR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
421.5
MW (Da)
4.28
ALogP
5
HBA
0
HBD
64.8
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 5.18 | 5.18 | 6541.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 23.0 | nM | 7.64 | Inhibition of human COX2 expressed in african green monkey COS cells assessed as... | 19523822 |
| Prostaglandin G/H synthase 1 | IC50 | = | 6541.0 | nM | 5.18 | Inhibition of human COX1 expressed in african green monkey COS cells assessed as... | 19523822 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19523822 | 10.1016/j.bmcl.2009.02.089 | Prostaglandin G/H synthase 2 | 1 |
| 19523822 | 10.1016/j.bmcl.2009.02.089 | Unchecked | 1 |
| 19523822 | 10.1016/j.bmcl.2009.02.089 | Prostaglandin G/H synthase 1 | 1 |
Data from ChEMBL 36 via Core Engine