Compound Detail
CHEMBL16899
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Basic Information
| ChEMBL ID | CHEMBL16899 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SQLUWUXBLLPJIY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
286.7
MW (Da)
4.12
ALogP
3
HBA
0
HBD
39.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 500.0 | nM | 6.3 | Evaluated for inhibition of COX-2 catalyzed PGE-2 production from LPS induced RA... | 14980657 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14980657 | 10.1016/j.bmcl.2003.12.087 | Prostaglandin G/H synthase 2 | 1 |
| 14980657 | 10.1016/j.bmcl.2003.12.087 | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine