Compound Detail
CHEMBL27975
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Basic Information
| ChEMBL ID | CHEMBL27975 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YVAOFGAOVRXLLB-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
412.7
MW (Da)
3.60
ALogP
4
HBA
1
HBD
78.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 7.51 | 7.51 | 30.9 | 3 |
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 5.06 | 5.06 | 8710.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 30.9 | nM | 7.51 | Inhibition of human Prostaglandin G/H synthase 2 | 11563921 |
| Prostaglandin G/H synthase 2 | IC50 | = | 31.0 | nM | 7.51 | Inhibitory concentration against human prostaglandin G/H synthase 2 at 25 degree... | 11814774 |
| Prostaglandin G/H synthase 2 | IC50 | = | 31.0 | nM | 7.51 | In vitro inhibitory concentration required to block human recombinant prostaglan... | 9135032 |
| Prostaglandin G/H synthase 1 | IC50 | = | 8710.0 | nM | 5.06 | In vitro inhibitory concentration required to block recombinant human prostaglan... | 9135032 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11563921 | 10.1021/jm0101343 | Prostaglandin G/H synthase 2 | 1 |
| 11814774 | 10.1016/s0960-894x(01)00825-3 | Prostaglandin G/H synthase 2 | 1 |
| 9135032 | 10.1021/jm960803q | Prostaglandin G/H synthase 1 | 1 |
| 9135032 | 10.1021/jm960803q | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine