Compound Detail
CHEMBL4284420
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Basic Information
| ChEMBL ID | CHEMBL4284420 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKHLYIRSRXKDMH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
460.4
MW (Da)
2.63
ALogP
6
HBA
2
HBD
90.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 7.18 | 7.18 | 66.6 | 1 |
| PC-3 CHEMBL390 | IC50 | 4.71 | 4.71 | 19400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 66.6 | nM | 7.18 | Inhibition of AKT1 (unknown origin) using biotin-labelled STK as substrate measu... | 30151089 |
| PC-3 | IC50 | = | 19400.0 | nM | 4.71 | 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 | 3 |
| 30151089 | 10.1039/C8MD00197A | PC-3 | 1 |
Data from ChEMBL 36 via Core Engine