Compound Detail
CHEMBL211338
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Basic Information
| ChEMBL ID | CHEMBL211338 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JKYSHNUZMYNIEQ-KOBPDPAPSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
368.4
MW (Da)
3.85
ALogP
6
HBA
3
HBD
96.2
PSA (Ų)
0.39
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.25
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SK-OV-3 | IC50 | = | 5580.0 | nM | 5.25 | Cytotoxicity against human SKOV3 Cells after 48 hrs by Cell Titer Blue assay | 31129455 |
| PC-3 | IC50 | = | 8600.0 | nM | 5.07 | Cytotoxicity against human PC3 cell line | 16789753 |
| LNCaP | IC50 | = | 10900.0 | nM | 4.96 | Cytotoxicity against human LNCaP cell line | 16789753 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24275249 | 10.1016/j.ejmech.2013.10.073 | Molecular identity unknown | 4 |
| 16789753 | 10.1021/jm051043z | LNCaP | 1 |
| 16789753 | 10.1021/jm051043z | PC-3 | 1 |
| 19249204 | 10.1016/j.bmcl.2009.01.104 | PC-3 | 1 |
| 19249204 | 10.1016/j.bmcl.2009.01.104 | LNCaP | 1 |
| 19249204 | 10.1016/j.bmcl.2009.01.104 | MCF7 | 1 |
| 19249204 | 10.1016/j.bmcl.2009.01.104 | MDA-MB-231 | 1 |
| 31129455 | 10.1016/j.ejmech.2019.04.058 | SK-OV-3 | 1 |
Data from ChEMBL 36 via Core Engine