Compound Detail
CHEMBL4793204
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COc1c(O)c2c(=O)cc(OC)c3c4c(OC)cc(=O)c5c(O)c(OC)c6c(c(c1CC(C)=C6C(C)=O)c23)c54
Basic Information
| ChEMBL ID | CHEMBL4793204 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SBMXTMAIKRQSQE-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
528.5
MW (Da)
4.26
ALogP
9
HBA
2
HBD
128.6
PSA (Ų)
0.25
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SK-MEL-28 CHEMBL614919 | EC50 | 7.83 | 6.6633 | 14.7 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SK-MEL-28 | EC50 | = | 14.7 | nM | 7.83 | Phototoxicity against human SK-MEL-28 cells assessed as reduction in cell viabil... | 32786877 |
| SK-MEL-28 | EC50 | = | 15.7 | nM | 7.8 | Phototoxicity against human SK-MEL-28 cells assessed as reduction in cell viabil... | 32786877 |
| SK-MEL-28 | EC50 | = | 43700.0 | nM | 4.36 | Cytotoxicity against human SK-MEL-28 cells assessed as reduction in cell viabili... | 32786877 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32786877 | 10.1021/acs.jnatprod.0c00492 | SK-MEL-28 | 5 |
Data from ChEMBL 36 via Core Engine