Compound Detail
CHEMBL1939517
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Basic Information
| ChEMBL ID | CHEMBL1939517 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZRYAKPZQCKODEV-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
457.6
MW (Da)
3.33
ALogP
7
HBA
1
HBD
94.8
PSA (Ų)
0.39
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
| Prostaglandin G/H synthase 2 CHEMBL4321 | IC50 | 6.16 | 6.16 | 700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 700.0 | nM | 6.16 | Inhibition of COX-2-mediated PGE2 production in LPS-stimulated mouse J774 cells ... | 21992176 |
| Prostaglandin G/H synthase 2 | IC50 | = | 700.0 | nM | 6.16 | Inhibition of COX2 in Escherichia coli LPS-stimulated mouse J774 cells using ara... | - |
| Prostaglandin G/H synthase 2 | IC50 | = | 700.0 | nM | 6.16 | In Vitro Inhibition Assay: The murine monocyte/macrophage cell line J774 is grow... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21992176 | 10.1021/jm200715n | Prostaglandin G/H synthase 2 | 4 |
| 21992176 | 10.1021/jm200715n | Prostaglandin G/H synthase 1 | 2 |
| 21992176 | 10.1021/jm200715n | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine