Compound Detail
CHEMBL578402
LILIFLOL A Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL578402 |
| Name | LILIFLOL A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZEACHMAUZGHOTQ-WLRWDXFRSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
310.4
MW (Da)
4.09
ALogP
4
HBA
1
HBD
47.9
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.74 | 5.74 | 1810.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.74 | 4.74 | 18400.0 | 1 |
| Prostaglandin G/H synthase 2 CHEMBL4102 | IC50 | 4.01 | 4.01 | 98700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1810.0 | nM | 5.74 | Inhibition of potato LOX-5 assessed as inhibition of hydroperoxide production af... | 19880317 |
| NON-PROTEIN TARGET | IC50 | = | 18400.0 | nM | 4.74 | Antiplatelet activity in rabbit platelets assessed as inhibition of platelet act... | 19880317 |
| Prostaglandin G/H synthase 2 | IC50 | = | 98700.0 | nM | 4.01 | Inhibition of ovine COX-2 assessed as inhibition of transformation of AA to PGH2... | 19880317 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19880317 | 10.1016/j.bmcl.2009.10.069 | NON-PROTEIN TARGET | 3 |
| 19880317 | 10.1016/j.bmcl.2009.10.069 | Unchecked | 2 |
| 19880317 | 10.1016/j.bmcl.2009.10.069 | Prostaglandin G/H synthase 1 | 1 |
| 19880317 | 10.1016/j.bmcl.2009.10.069 | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine