Compound Detail
CHEMBL417452
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Basic Information
| ChEMBL ID | CHEMBL417452 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SHAHPWSYJFYMRX-HONMWMINSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
248.3
MW (Da)
2.58
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 4.7 | 4.7 | 20200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 | IC50 | = | 20200.0 | nM | 4.7 | Inhibitory potency against Prostaglandin G/H synthase 1 in human whole blood ass... | 14980665 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14980665 | 10.1016/j.bmcl.2003.12.047 | Prostaglandin G/H synthase 2 | 2 |
| 14980665 | 10.1016/j.bmcl.2003.12.047 | Prostaglandin G/H synthase 1 | 2 |
Data from ChEMBL 36 via Core Engine