Compound Detail
CHEMBL1835473
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Basic Information
| ChEMBL ID | CHEMBL1835473 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MGUKBYXVNDLSKG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
397.4
MW (Da)
3.22
ALogP
5
HBA
2
HBD
98.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL4102 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL2949 | IC50 | 4.44 | 4.44 | 36000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of ovine COX2 by enzyme immuno assay | 21890358 |
| Prostaglandin G/H synthase 1 | IC50 | = | 36000.0 | nM | 4.44 | Inhibition of ovine COX1 by enzyme immuno assay | 21890358 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21890358 | 10.1016/j.bmcl.2011.08.053 | Rattus norvegicus | 1 |
| 21890358 | 10.1016/j.bmcl.2011.08.053 | Prostaglandin G/H synthase 1 | 1 |
| 21890358 | 10.1016/j.bmcl.2011.08.053 | Prostaglandin G/H synthase 2 | 1 |
| 21890358 | 10.1016/j.bmcl.2011.08.053 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine