Compound Detail
CHEMBL480267
LUPULONE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL480267 |
| Name | LUPULONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WPVSVIXDXMNGGN-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
414.6
MW (Da)
6.86
ALogP
4
HBA
2
HBD
74.6
PSA (Ų)
0.40
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 4.77 | 4.77 | 17000.0 | 1 |
| Radical scavenging activity CHEMBL613712 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.41 | 4.41 | 39000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 17000.0 | nM | 4.77 | Inhibition of LPS/IFN-gamma-induced NO production in mouse RAW264.7 cells after ... | 15679315 |
| Radical scavenging activity | IC50 | = | 25000.0 | nM | 4.6 | Antioxidant activity assessed as DPPH radical scavenging activity | 19476340 |
| NON-PROTEIN TARGET | IC50 | = | 39000.0 | nM | 4.41 | Antioxidant activity assessed as inhibition of lipid peroxidation | 19476340 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15679315 | 10.1021/np0499113 | RAW264.7 | 3 |
| 19476340 | 10.1021/np800740m | Radical scavenging activity | 1 |
| 19476340 | 10.1021/np800740m | NON-PROTEIN TARGET | 1 |
| 19476340 | 10.1021/np800740m | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine