Compound Detail
CHEMBL482592
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CC1=C(CC/C(C)=C/CC/C(C=O)=C\C=C\C2=CC(=O)O[C@H]2O)C(C)(C)CCC1
Basic Information
| ChEMBL ID | CHEMBL482592 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CNZFPEKVGJSRBD-DBNLUOHASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
5.50
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.18
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phospholipase A2 CHEMBL3885667 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phospholipase A2 | IC50 | = | 280.0 | nM | 6.55 | Inhibition of bee venom PLA2 | 1294693 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8482949 | 10.1021/np50093a020 | L1210 | 1 |
| 8482949 | 10.1021/np50093a020 | KB | 1 |
| 1294693 | 10.1021/np50090a001 | Phospholipase A2 | 1 |
Data from ChEMBL 36 via Core Engine