Compound Detail
CHEMBL486059
PERVILLEINE B Enter ChEMBL ID:
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COc1cc(/C=C/C(=O)O[C@H]2CC3C[C@H](OC(=O)c4cc(OC)c(OC)c(OC)c4)CC2N3C)cc(OC)c1OC
Basic Information
| ChEMBL ID | CHEMBL486059 |
| Name | PERVILLEINE B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKZAOZSLMGOEFU-ZAXSSQMLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
571.6
MW (Da)
3.76
ALogP
11
HBA
0
HBD
111.2
PSA (Ų)
0.29
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
| SK-OV-3 CHEMBL614925 | IC50 | 5.42 | 5.42 | 3800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 120.0 | nM | 6.92 | Cytotoxicity against human multidrug-resistant SKVLB1 cells in presence of adria... | 11754602 |
| SK-OV-3 | IC50 | = | 3800.0 | nM | 5.42 | Cytotoxicity against human SKOV3 cells | 11754602 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11754602 | 10.1021/np010295+ | NON-PROTEIN TARGET | 5 |
| 11754602 | 10.1021/np010295+ | ATP-dependent translocase ABCB1 | 3 |
| 11754602 | 10.1021/np010295+ | Lu1 | 1 |
| 11754602 | 10.1021/np010295+ | Col2 | 1 |
| 11754602 | 10.1021/np010295+ | KB | 1 |
| 11754602 | 10.1021/np010295+ | LNCaP | 1 |
| 11754602 | 10.1021/np010295+ | SW626 | 1 |
| 11754602 | 10.1021/np010295+ | SK-OV-3 | 1 |
| 11754602 | 10.1021/np010295+ | LOX IMVI | 1 |
Data from ChEMBL 36 via Core Engine