Compound Detail
CHEMBL482199
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Basic Information
| ChEMBL ID | CHEMBL482199 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NDSYTMKGLSDBIA-RQZCQDPDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
361.4
MW (Da)
1.55
ALogP
6
HBA
2
HBD
106.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 5.39 | 5.39 | 4100.0 | 1 |
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 4.99 | 4.99 | 10200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 | IC50 | = | 4100.0 | nM | 5.39 | Inhibition of COX1 in human whole blood assessed as TXB2 production by enzyme im... | 19135376 |
| Prostaglandin G/H synthase 2 | IC50 | = | 10200.0 | nM | 4.99 | Inhibition of COX2 in LPS-stimulated human whole blood assessed as TXB2 producti... | 19135376 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19135376 | 10.1016/j.bmc.2008.12.045 | Rattus norvegicus | 4 |
| 19135376 | 10.1016/j.bmc.2008.12.045 | Mus musculus | 2 |
| 19135376 | 10.1016/j.bmc.2008.12.045 | Prostaglandin G/H synthase 1 | 1 |
| 19135376 | 10.1016/j.bmc.2008.12.045 | Prostaglandin G/H synthase 2 | 1 |
| 19135376 | 10.1016/j.bmc.2008.12.045 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine