Compound Detail
CHEMBL30130
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Basic Information
| ChEMBL ID | CHEMBL30130 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LCBOXDJCUOUJBM-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
448.5
MW (Da)
5.20
ALogP
5
HBA
1
HBD
82.1
PSA (Ų)
0.34
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytosolic phospholipase A2 beta CHEMBL4136 | IC50 | 7.32 | 6.83 | 48.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.34 | 6.34 | 460.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytosolic phospholipase A2 beta | IC50 | = | 48.0 | nM | 7.32 | Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by bilayer assay | 11882004 |
| Unchecked | IC50 | = | 460.0 | nM | 6.34 | In vitro inhibition of human recombinant cytosolic phospholipase A2 (c-PLA2). | 15203135 |
| Cytosolic phospholipase A2 beta | IC50 | = | 460.0 | nM | 6.34 | Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay | 11882004 |
| HL-60 | IC50 | = | 2600.0 | nM | 5.58 | Inhibition of [3H]Arachidonic acid production by stimulated HL60 (human leukemia... | 15203135 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11882004 | 10.1021/jm011050x | Cytosolic phospholipase A2 beta | 2 |
| 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 |
| 11882004 | 10.1021/jm011050x | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine