Compound Detail
CHEMBL4877414
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COc1ccc2c(c1)cc(/C=N/[C@@H]1c3cc4c(cc3[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@H]3C(=O)OC[C@@H]31)OCO4)n2Cc1ccccc1F
Basic Information
| ChEMBL ID | CHEMBL4877414 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZBKBNQXBWVGUJG-YEJLVUHTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
678.7
MW (Da)
6.69
ALogP
10
HBA
0
HBD
99.0
PSA (Ų)
0.13
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | IC50 | 6.19 | 6.19 | 650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 650.0 | nM | 6.19 | Antiproliferative activity against human HeLa cells by MTT assay | 32992133 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32992133 | 10.1016/j.ejmech.2020.112830 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine