Compound Detail
CHEMBL348326
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COC(=O)c1c(C)[nH]c2c1[C@@]13C[C@@H]1CN(C(=O)/C=C/c1ccc(OC)nn1)C3=CC2=O
Basic Information
| ChEMBL ID | CHEMBL348326 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GWJYYOWJVUROLU-KPYIBPHBSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
420.4
MW (Da)
1.80
ALogP
7
HBA
1
HBD
114.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | IC50 | 9.55 | 9.425 | 0.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 0.28 | nM | 9.55 | Compound was tested in vitro for anticellular activity against HeLa S3 cell grow... | 10052974 |
| HeLa | IC50 | = | 0.5 | nM | 9.3 | Compound was tested in vitro for anticellular activity against HeLa S3 cell grow... | 10052974 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10052974 | 10.1021/jm980559y | HeLa | 2 |
Data from ChEMBL 36 via Core Engine