Compound Detail
CHEMBL303036
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Basic Information
| ChEMBL ID | CHEMBL303036 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YFKJDWYHRXIZFN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
5.01
ALogP
3
HBA
0
HBD
26.3
PSA (Ų)
0.64
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 4.77 | 4.77 | 17000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 | IC50 | = | 17000.0 | nM | 4.77 | Inhibitory activity against human COX-1 expressed in baculovirus infected Sf9 ce... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00359-2 | Prostaglandin G/H synthase 2 | 1 |
| - | 10.1016/0960-894X(95)00359-2 | Prostaglandin G/H synthase 1 | 1 |
| - | 10.1016/0960-894X(95)00359-2 | Cyclooxygenase | 1 |
Data from ChEMBL 36 via Core Engine