Compound Detail
CHEMBL139858
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Basic Information
| ChEMBL ID | CHEMBL139858 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QOROPRUYPVIPED-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
2
PK Parameters
5
Publications
0
Known Names
Molecular Properties
482.0
MW (Da)
7.23
ALogP
3
HBA
1
HBD
51.5
PSA (Ų)
0.27
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytosolic phospholipase A2 CHEMBL3816 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.1 | 5.6667 | 800.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 63.0 | % | Rattus norvegicus |
| F | 63.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytosolic phospholipase A2 | IC50 | = | 800.0 | nM | 6.1 | In vitro inhibition of cystolic phospholipase A2 alpha. | 14643356 |
| Unchecked | IC50 | = | 800.0 | nM | 6.1 | Inhibition of LTB4 production expressed in MC9 cells in presence of 1 megacells/... | 16392799 |
| Unchecked | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of LTB4 production expressed in MC9 cells in presence of 4 megacells/... | 16392799 |
| Unchecked | IC50 | = | 8300.0 | nM | 5.08 | Inhibition of LTB4 production expressed in MC9 cells in presence of 8 megacells/... | 16392799 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16392799 | 10.1021/jm0507882 | Unchecked | 4 |
| 14643356 | 10.1016/j.bmcl.2003.08.070 | Cytosolic phospholipase A2 | 1 |
| 14643356 | 10.1016/j.bmcl.2003.08.070 | Rattus norvegicus | 1 |
| 16392799 | 10.1021/jm0507882 | Cytosolic phospholipase A2 | 1 |
| 16392799 | 10.1021/jm0507882 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine