Compound Detail
CHEMBL4212465
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Basic Information
| ChEMBL ID | CHEMBL4212465 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UFNSVQPSINCJSC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
374.4
MW (Da)
4.76
ALogP
5
HBA
1
HBD
73.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL2949 | IC50 | 5.21 | 5.21 | 6200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of recombinant human N-terminal His-tagged COX2 expressed in baculovi... | 29373271 |
| Prostaglandin G/H synthase 1 | IC50 | = | 6200.0 | nM | 5.21 | Inhibition of ovine COX1 assessed as reduction in Prostaglandin production by en... | 29373271 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29373271 | 10.1016/j.bmc.2018.01.007 | Prostaglandin G/H synthase 2 | 1 |
| 29373271 | 10.1016/j.bmc.2018.01.007 | Prostaglandin G/H synthase 1 | 1 |
| 29373271 | 10.1016/j.bmc.2018.01.007 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine