Compound Detail
CHEMBL4277316
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Basic Information
| ChEMBL ID | CHEMBL4277316 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SZEVOPNJIFSVKN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
470.4
MW (Da)
3.91
ALogP
5
HBA
1
HBD
61.4
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PC-3 CHEMBL390 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PC-3 | IC50 | = | 14000.0 | nM | 4.85 | Antiproliferative activity against human PC3 cells after 72 hrs by MTT assay | 30151089 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30151089 | 10.1039/C8MD00197A | RAC-alpha serine/threonine-protein kinase | 1 |
| 30151089 | 10.1039/C8MD00197A | PC-3 | 1 |
Data from ChEMBL 36 via Core Engine