Compound Detail
CHEMBL4277468
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Basic Information
| ChEMBL ID | CHEMBL4277468 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMNXGVYYPJHENT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
520.4
MW (Da)
5.03
ALogP
8
HBA
0
HBD
74.8
PSA (Ų)
0.23
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 6.17 | 6.17 | 670.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL2949 | IC50 | 5.12 | 5.12 | 7630.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 670.0 | nM | 6.17 | Inhibition of recombinant human COX2 assessed as reduction in PGF2alpha producti... | 29289887 |
| Prostaglandin G/H synthase 1 | IC50 | = | 7630.0 | nM | 5.12 | Inhibition of ovine COX1 assessed as reduction in PGF2alpha production using ara... | 29289887 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29289887 | 10.1016/j.ejmech.2017.12.065 | Prostaglandin G/H synthase 1 | 1 |
| 29289887 | 10.1016/j.ejmech.2017.12.065 | Prostaglandin G/H synthase 2 | 1 |
| 29289887 | 10.1016/j.ejmech.2017.12.065 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine