Compound Detail
CHEMBL144630
PODOCARPUSFLAVONE B Enter ChEMBL ID:
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COc1ccc(-c2cc(=O)c3c(O)cc(O)c(-c4cc(-c5cc(=O)c6c(O)cc(OC)cc6o5)ccc4O)c3o2)cc1
Basic Information
| ChEMBL ID | CHEMBL144630 |
| Name | PODOCARPUSFLAVONE B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GZTVUTQZSAZUIY-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
566.5
MW (Da)
5.74
ALogP
10
HBA
4
HBD
159.8
PSA (Ų)
0.20
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.97
IC50 1 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-secretase 1 CHEMBL4822 | IC50 | 5.38 | 5.38 | 4210.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 4.97 | 4.97 | 10770.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-secretase 1 | IC50 | = | 4210.0 | nM | 5.38 | Inhibition of BACE1 after 60 mins by FRET assay | 20598535 |
| NON-PROTEIN TARGET | EC50 | = | 10770.0 | nM | 4.97 | Neuroprotective activity against 0.1 uM amyloid beta 42-induced toxicity in rat ... | 26004578 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26004578 | 10.1016/j.bmcl.2015.04.106 | NON-PROTEIN TARGET | 2 |
| 18179177 | 10.1021/np070629g | NCI-H187 | 1 |
| 18179177 | 10.1021/np070629g | NON-PROTEIN TARGET | 1 |
| 20598535 | 10.1016/j.bmcl.2010.06.021 | Beta-secretase 1 | 1 |
Data from ChEMBL 36 via Core Engine