Compound Detail
CHEMBL1778160
ISOPICROPODOPHYLLONE Enter ChEMBL ID:
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COc1cc([C@@H]2c3cc4c(cc3C(=O)[C@@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC
Basic Information
| ChEMBL ID | CHEMBL1778160 |
| Name | ISOPICROPODOPHYLLONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ISCQYPPCSYRZOT-ZNOIYHFQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
412.4
MW (Da)
2.56
ALogP
8
HBA
0
HBD
89.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | IC50 | 4.49 | 4.49 | 32100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 32100.0 | nM | 4.49 | Cytotoxicity against human HeLa cells after 72 hrs by MTT assay | 21570846 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21570846 | 10.1016/j.bmcl.2011.04.036 | HeLa | 1 |
| 21570846 | 10.1016/j.bmcl.2011.04.036 | KB | 1 |
Data from ChEMBL 36 via Core Engine