Compound Detail
CHEMBL465260
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COc1cccc(-c2c3c4cc(OC)c(O)cc4oc(=O)c3n3ccc4cc(O)c(OC)cc4c23)c1
Basic Information
| ChEMBL ID | CHEMBL465260 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YMEGTTNXCFCPBX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
483.5
MW (Da)
5.46
ALogP
8
HBA
2
HBD
102.8
PSA (Ų)
0.32
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 70.0 | nM | 7.16 | Cytotoxicity against human HeLa cells assessed as inhibition of colony formation... | 11975488 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11975488 | 10.1021/np0104525 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine