Compound Detail
CHEMBL451845
PERVILLEINE C Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1cc(/C=C/C(=O)O[C@H]2CC3C[C@H](OC(=O)/C=C/c4cc(OC)c(OC)c(OC)c4)C(C2)N3C)cc(OC)c1OC
Basic Information
| ChEMBL ID | CHEMBL451845 |
| Name | PERVILLEINE C |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QRMASVGVVOOIOZ-DRDSSUTESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
597.7
MW (Da)
4.15
ALogP
11
HBA
0
HBD
111.2
PSA (Ų)
0.26
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
| SK-OV-3 CHEMBL614925 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 80.0 | nM | 7.1 | Cytotoxicity against human multidrug-resistant SKVLB1 cells in presence of adria... | 11754602 |
| SK-OV-3 | IC50 | = | 2800.0 | nM | 5.55 | 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