Compound Detail
CHEMBL5203763
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CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@@H]23)[C@@H]2C(C)(C)[C@]12OC(=O)O
Basic Information
| ChEMBL ID | CHEMBL5203763 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CTEYLSWOKZBUPZ-SAEYGTMWSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
618.8
MW (Da)
5.88
ALogP
8
HBA
4
HBD
150.6
PSA (Ų)
0.10
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.78
IC50 1 meas. best 9.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 9.26 | 9.26 | 0.6 | 1 |
| Neutrophil CHEMBL5314326 | EC50 | 7.78 | 7.78 | 16.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 0.55 | nM | 9.26 | Cytotoxicity against PKC sensitive human K562 cells assessed as inhibition of ce... | 35973043 |
| Neutrophil | EC50 | = | 16.7 | nM | 7.78 | Induction of ROS production in human polymorphonuclear neutrophils incubated for... | 35973043 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35973043 | 10.1021/acs.jnatprod.2c00226 | Neutrophil | 1 |
| 35973043 | 10.1021/acs.jnatprod.2c00226 | K562 | 1 |
Data from ChEMBL 36 via Core Engine