Compound Detail
CHEMBL4514458
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Basic Information
| ChEMBL ID | CHEMBL4514458 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XSRZSWRGJARYET-DHZHZOJOSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
3.69
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PC-3 CHEMBL390 | IC50 | 5.09 | 5.09 | 8080.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PC-3 | IC50 | = | 8200.0 | nM | 5.09 | Antiproliferative activity against human PC3 cells after 48 hrs by CellTiter 96 ... | 30482548 |
| PC-3 | IC50 | = | 8080.0 | nM | 5.09 | Cytotoxicity against human PC3 cells assessed as reduction in cell viability | 31539776 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30482548 | 10.1016/j.bmc.2018.10.045 | PC-3 | 11 |
| 30482548 | 10.1016/j.bmc.2018.10.045 | Unchecked | 1 |
| 30482548 | 10.1016/j.bmc.2018.10.045 | MCF7 | 1 |
| 30482548 | 10.1016/j.bmc.2018.10.045 | BJ | 1 |
| 30482548 | 10.1016/j.bmc.2018.10.045 | Ca-Ski | 1 |
| 31539776 | 10.1016/j.ejmech.2019.111687 | PC-3 | 1 |
Data from ChEMBL 36 via Core Engine