Compound Detail
CHEMBL2165460
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Basic Information
| ChEMBL ID | CHEMBL2165460 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KRQPAMFRQMCSHL-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
280.3
MW (Da)
3.90
ALogP
3
HBA
0
HBD
47.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
| LNCaP CHEMBL612518 | IC50 | 5.44 | 5.44 | 3600.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 5.2 | 5.2 | 6300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 1800.0 | nM | 5.75 | Cytotoxicity against human C4-2B cells incubated for 72 hrs by MTT assay | 22175694 |
| LNCaP | IC50 | = | 3600.0 | nM | 5.44 | Cytotoxicity against human LNCAP cells incubated for 72 hrs by MTT assay | 22175694 |
| PC-3 | IC50 | = | 6300.0 | nM | 5.2 | Cytotoxicity against human PC3 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