Compound Detail
CHEMBL2165458
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Basic Information
| ChEMBL ID | CHEMBL2165458 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WGZSNPJOTXZUBC-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
280.3
MW (Da)
3.76
ALogP
3
HBA
0
HBD
47.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| LNCaP CHEMBL612518 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
| CWR22R CHEMBL612657 | IC50 | 5.09 | 5.09 | 8200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 300.0 | nM | 6.52 | Cytotoxicity against human C4-2B cells incubated for 72 hrs by MTT assay | 22175694 |
| LNCaP | IC50 | = | 1700.0 | nM | 5.77 | Cytotoxicity against human LNCAP cells incubated for 72 hrs by MTT assay | 22175694 |
| PC-3 | IC50 | = | 1900.0 | nM | 5.72 | Cytotoxicity against human PC3 cells incubated for 72 hrs by MTT assay | 22175694 |
| CWR22R | IC50 | = | 8200.0 | nM | 5.09 | Cytotoxicity against human 22Rv1 cells incubated for 72 hrs by MTT assay | 22175694 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22175694 | 10.1021/jm2015292 | PC-3 | 1 |
| 22175694 | 10.1021/jm2015292 | NON-PROTEIN TARGET | 1 |
| 22175694 | 10.1021/jm2015292 | CWR22R | 1 |
| 22175694 | 10.1021/jm2015292 | LNCaP | 1 |
Data from ChEMBL 36 via Core Engine