Compound Detail
CHEMBL3327352
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Basic Information
| ChEMBL ID | CHEMBL3327352 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WXHDLEAJIGSBOC-HWKANZROSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
328.4
MW (Da)
3.93
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | IC50 | 4.22 | 4.22 | 59940.0 | 1 |
| BeWo CHEMBL614525 | IC50 | 4.16 | 4.16 | 70010.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.04 | 4.04 | 92350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 59940.0 | nM | 4.22 | Antitumor activity against human HeLa cells assessed as inhibition of cell growt... | 25160837 |
| BeWo | IC50 | = | 70010.0 | nM | 4.16 | Antitumor activity against human Bewo cells assessed as inhibition of cell growt... | 25160837 |
| NON-PROTEIN TARGET | IC50 | = | 92350.0 | nM | 4.04 | Antitumor activity against human HL60 cells assessed as inhibition of cell growt... | 25160837 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25160837 | 10.1016/j.bmcl.2014.08.024 | NON-PROTEIN TARGET | 2 |
| 25160837 | 10.1016/j.bmcl.2014.08.024 | SiHa | 1 |
| 25160837 | 10.1016/j.bmcl.2014.08.024 | HeLa | 1 |
| 25160837 | 10.1016/j.bmcl.2014.08.024 | BeWo | 1 |
| 25160837 | 10.1016/j.bmcl.2014.08.024 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine