Compound Detail
CHEMBL517639
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COc1cc2c(cc1O)oc(=O)c1c2c(-c2ccc(O)cc2)c2c3cc(OC)c(O)cc3ccn21
Basic Information
| ChEMBL ID | CHEMBL517639 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HHQABYRASKFSKG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
469.4
MW (Da)
5.15
ALogP
8
HBA
3
HBD
113.8
PSA (Ų)
0.31
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | IC50 | 7.42 | 7.42 | 38.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 38.0 | nM | 7.42 | 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