Compound Detail
CHEMBL4519601
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Basic Information
| ChEMBL ID | CHEMBL4519601 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UFDCMJCWKGSYHN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
377.4
MW (Da)
3.40
ALogP
6
HBA
0
HBD
106.0
PSA (Ų)
0.40
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| 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 CHEMBL4102 | IC50 | 5.75 | 5.75 | 1790.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL2949 | IC50 | 4.79 | 4.79 | 16200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 1790.0 | nM | 5.75 | Inhibition of ovine COX2 using arachidonic acid as substrate preincubated for 10... | 30996860 |
| Prostaglandin G/H synthase 1 | IC50 | = | 16200.0 | nM | 4.79 | Inhibition of ovine COX1 using arachidonic acid as substrate preincubated for 10... | 30996860 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30996860 | 10.1039/C8MD00457A | Rattus norvegicus | 5 |
| 30996860 | 10.1039/C8MD00457A | Erythrocyte | 2 |
| 30996860 | 10.1039/C8MD00457A | Unchecked | 1 |
| 30996860 | 10.1039/C8MD00457A | Prostaglandin G/H synthase 1 | 1 |
| 30996860 | 10.1039/C8MD00457A | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine