Compound Detail
CHEMBL4574492
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Basic Information
| ChEMBL ID | CHEMBL4574492 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACOOHGYWFGWCLK-OXJNMPFZSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
430.9
MW (Da)
3.89
ALogP
4
HBA
2
HBD
59.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 8.3 | 7.93 | 5.0 | 2 |
| OVCAR-8 CHEMBL612555 | IC50 | 5.66 | 5.66 | 2180.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 5.0 | 5.0 | 9880.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 5.0 | nM | 8.3 | Inhibition of AKT1 (unknown origin) | 36075147 |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 27.3 | nM | 7.56 | Inhibition of human Akt1 expressed in Escherichia coli using STK Substrate 2-bio... | 31298542 |
| OVCAR-8 | IC50 | = | 2180.0 | nM | 5.66 | Antiproliferative activity against human OVCAR8 cells | 31298542 |
| HCT-116 | IC50 | = | 9880.0 | nM | 5.0 | Antiproliferative activity against human HCT116 cells after 72 hrs by SRB assay | 31298542 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36075147 | 10.1016/j.ejmech.2022.114732 | Unchecked | 2 |
| 31298542 | 10.1021/acs.jmedchem.9b00891 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 31298542 | 10.1021/acs.jmedchem.9b00891 | HCT-116 | 1 |
| 31298542 | 10.1021/acs.jmedchem.9b00891 | OVCAR-8 | 1 |
| 31298542 | 10.1021/acs.jmedchem.9b00891 | RAC-alpha serine/threonine-protein kinase | 1 |
| 36075147 | 10.1016/j.ejmech.2022.114732 | RAC-alpha serine/threonine-protein kinase | 1 |
Data from ChEMBL 36 via Core Engine