Compound Detail
CHEMBL122657
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Basic Information
| ChEMBL ID | CHEMBL122657 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OBRFMLVYAHTMPJ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
470.6
MW (Da)
4.10
ALogP
8
HBA
1
HBD
99.9
PSA (Ų)
0.28
QED
0
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.2 | 4.2 | 63000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 63000.0 | nM | 4.2 | In vitro inhibition of human recombinant cytosolic phospholipase A2 (c-PLA2). | 15203135 |
| Unchecked | IC50 | = | 63000.0 | nM | 4.2 | Inhibition of cPLA2alpha | 22192589 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15203135 | 10.1016/j.bmcl.2004.05.024 | Unchecked | 1 |
| 15203135 | 10.1016/j.bmcl.2004.05.024 | HL-60 | 1 |
| 15203135 | 10.1016/j.bmcl.2004.05.024 | No relevant target | 1 |
| 22192589 | 10.1016/j.bmcl.2011.11.093 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine