Compound Detail
CHEMBL451037
LUFFARIELLOLIDE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL451037 |
| Name | LUFFARIELLOLIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JPWPYTMXSXYUPG-QZPYEDBESA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
386.6
MW (Da)
6.55
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.36
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phospholipase A2 CHEMBL3885667 | IC50 | 6.64 | 6.64 | 230.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.44 | 5.44 | 3600.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
| T47D CHEMBL614361 | IC50 | 5.29 | 5.29 | 5100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phospholipase A2 | IC50 | = | 230.0 | nM | 6.64 | Inhibition of bee venom PLA2 | 1294693 |
| Unchecked | IC50 | = | 3600.0 | nM | 5.44 | Inhibition of hypoxia-induced HIF-1 activation in human T47D cells by luciferase... | 23944963 |
| MDA-MB-231 | IC50 | = | 4500.0 | nM | 5.35 | Antiproliferative activity against human MDA-MB-231 cells after 48 hrs by SRB as... | 23944963 |
| T47D | IC50 | = | 5100.0 | nM | 5.29 | Antiproliferative activity against human T47D cells after 48 hrs by SRB assay | 23944963 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15568767 | 10.1021/np040118j | Cladosporium herbarum | 3 |
| 15568767 | 10.1021/np040118j | Staphylococcus aureus | 2 |
| 15568767 | 10.1021/np040118j | Bacillus subtilis | 2 |
| 15568767 | 10.1021/np040118j | Escherichia coli | 2 |
| 15568767 | 10.1021/np040118j | Candida albicans | 2 |
| 31980363 | 10.1016/j.bmc.2019.115279 | SU.86.86 | 2 |
| 15568767 | 10.1021/np040118j | L5178Y | 1 |
| 15568767 | 10.1021/np040118j | PC-12 | 1 |
| 15568767 | 10.1021/np040118j | HeLa | 1 |
| 1294693 | 10.1021/np50090a001 | Phospholipase A2 | 1 |
| 1294693 | 10.1021/np50090a001 | Phospholipase A2, membrane associated | 1 |
| 23944963 | 10.1021/np400350k | MDA-MB-231 | 1 |
| 23944963 | 10.1021/np400350k | T47D | 1 |
| 23944963 | 10.1021/np400350k | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine