Compound Detail
CHEMBL498448
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CC(=O)OC[C@]12CCCC(C)(C)[C@@H]1CC[C@]1(C)[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C=O)C(C(C)=O)=CC[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL498448 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IEEOZJLECXJYTE-WQSMWVCRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
458.6
MW (Da)
4.90
ALogP
5
HBA
1
HBD
80.7
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 18000.0 | nM | 4.75 | Inhibition of cytosolic PLA2 | 10785432 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10785432 | 10.1021/np990506z | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine