Compound Detail
CHEMBL393127
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Basic Information
| ChEMBL ID | CHEMBL393127 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKHHVQRHKWOTPI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
430.9
MW (Da)
3.27
ALogP
6
HBA
2
HBD
89.8
PSA (Ų)
0.42
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 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 | 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 COX2 in human whole blood assessed as effect on LPS-induced thromb... | 17994684 |
| Prostaglandin G/H synthase 2 | IC50 | = | 700.0 | nM | 6.16 | Inhibition of COX2 in human whole blood assessed as effect on LPS-induced thromb... | 17994684 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17994684 | 10.1021/jm0611861 | Prostaglandin G/H synthase 2 | 5 |
| 17994684 | 10.1021/jm0611861 | Prostaglandin G/H synthase 1 | 4 |
| 17994684 | 10.1021/jm0611861 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine