Compound Detail
CHEMBL577045
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Basic Information
| ChEMBL ID | CHEMBL577045 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCYGZTICSDRPAA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
425.4
MW (Da)
2.83
ALogP
5
HBA
2
HBD
115.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL2949 | IC50 | 5.09 | 5.09 | 8100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of human recombinant COX2 by enzyme immunoassay | 19500994 |
| Prostaglandin G/H synthase 1 | IC50 | = | 8100.0 | nM | 5.09 | Inhibition of ovine COX1 by enzyme immunoassay | 19500994 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19500994 | 10.1016/j.bmc.2009.05.046 | Rattus norvegicus | 2 |
| 19500994 | 10.1016/j.bmc.2009.05.046 | Prostaglandin G/H synthase 1 | 1 |
| 19500994 | 10.1016/j.bmc.2009.05.046 | Prostaglandin G/H synthase 2 | 1 |
| 19500994 | 10.1016/j.bmc.2009.05.046 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine