Compound Detail
CHEMBL106445
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 | CHEMBL106445 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PDXDLMMRHHPKPH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
279.3
MW (Da)
4.33
ALogP
1
HBA
2
HBD
53.1
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 6.64 | 6.64 | 230.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL2949 | 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 | = | 230.0 | nM | 6.64 | In vitro inhibitory activity against Prostaglandin G/H synthase 2 (COX-2) in hum... | 10091674 |
| Prostaglandin G/H synthase 1 | IC50 | = | 10500.0 | nM | 4.98 | In vitro inhibitory activity against Prostaglandin G/H synthase 1 in sheep | 10091674 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10091674 | 10.1016/s0960-894x(98)00717-3 | Prostaglandin G/H synthase 1 | 1 |
| 10091674 | 10.1016/s0960-894x(98)00717-3 | Prostaglandin G/H synthase 2 | 1 |
| 10091674 | 10.1016/s0960-894x(98)00717-3 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine