Compound Detail
CHEMBL43511
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Basic Information
| ChEMBL ID | CHEMBL43511 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GOJNWJGEIYVWOM-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
316.4
MW (Da)
2.93
ALogP
3
HBA
1
HBD
65.1
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 7.85 | 6.8967 | 14.0 | 3 |
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 4.98 | 4.98 | 10500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 14.0 | nM | 7.85 | In vitro inhibitory activity against human prostaglandin G/H synthase 2 | 9171872 |
| Prostaglandin G/H synthase 2 | IC50 | = | 14.13 | nM | 7.85 | Inhibition of human Prostaglandin G/H synthase 2 | 11563921 |
| Prostaglandin G/H synthase 2 | IC50 | = | 10200.0 | nM | 4.99 | Inhibition of recombinant human COX-2 expressed in Baculovirus infected sf9 cell... | 30396033 |
| Prostaglandin G/H synthase 1 | IC50 | = | 10500.0 | nM | 4.98 | In vitro inhibitory activity against human prostaglandin G/H synthase 1 | 9171872 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9171872 | 10.1021/jm970036a | Prostaglandin G/H synthase 2 | 1 |
| 9171872 | 10.1021/jm970036a | Prostaglandin G/H synthase 1 | 1 |
| 9171872 | 10.1021/jm970036a | Rattus norvegicus | 1 |
| 11563921 | 10.1021/jm0101343 | Prostaglandin G/H synthase 2 | 1 |
| 30396033 | 10.1016/j.ejmech.2018.10.054 | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine