Compound Detail
CHEMBL4213262
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C[C@H]1Oc2c3c(c(C(=CC(=O)O)c4ccccc4)c(O)c2C(=O)[C@@H]1C)OC(C)(C)C=C3
Basic Information
| ChEMBL ID | CHEMBL4213262 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SSJOJPHKKKSPGS-ZIAGYGMSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
420.5
MW (Da)
4.69
ALogP
5
HBA
2
HBD
93.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | IC50 | 4.61 | 4.61 | 24500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 24500.0 | nM | 4.61 | Antiproliferative activity against human HL60 cells after 48 hrs by CCK8 assay | 29475587 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29475587 | 10.1016/j.bmcl.2018.02.022 | HeLa | 1 |
| 29475587 | 10.1016/j.bmcl.2018.02.022 | HL-60 | 1 |
Data from ChEMBL 36 via Core Engine