Compound Detail
CHEMBL91118
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL91118 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KGOPIJQFLBPLCD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
296.4
MW (Da)
3.96
ALogP
2
HBA
0
HBD
34.1
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 6.27 | 6.27 | 540.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Cmax | 1000.0 | nM | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 1.2 | nM | 8.92 | Inhibition of PGE-2 production by arachidonic acid-stimulated CHO cells expressi... | - |
| Prostaglandin G/H synthase 1 | IC50 | = | 540.0 | nM | 6.27 | Inhibition of PGE-2 production in arachidonic acid-stimulated CHO cells expressi... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(96)00501-X | Rattus norvegicus | 2 |
| - | 10.1016/S0960-894X(96)00501-X | Prostaglandin G/H synthase 2 | 1 |
| - | 10.1016/S0960-894X(96)00501-X | Prostaglandin G/H synthase 1 | 1 |
| - | 10.1016/S0960-894X(96)00501-X | Cyclooxygenase | 1 |
Data from ChEMBL 36 via Core Engine