Compound Detail
CHEMBL228654
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Basic Information
| ChEMBL ID | CHEMBL228654 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DFURSNCTQGJRRX-JYRVWZFOSA-N |
4
Targets
8
Activities
1
Assay Types
5
PK Parameters
14
Publications
0
Known Names
Molecular Properties
282.3
MW (Da)
2.39
ALogP
2
HBA
4
HBD
100.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-beta serine/threonine-protein kinase CHEMBL2431 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| 3-phosphoinositide-dependent protein kinase 1 CHEMBL2534 | IC50 | 8.3 | 7.958 | 5.0 | 5 |
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 30.8 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 31.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 1.0 | % | Rattus norvegicus |
| T1/2 | 0.4 | hr | Rattus norvegicus |
| T1/2 | 0.4 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-beta serine/threonine-protein kinase | IC50 | = | 5.0 | nM | 8.3 | Inhibition of AKT2 | 17544272 |
| 3-phosphoinositide-dependent protein kinase 1 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of PDK1 mediated cAKT2 phosphorylation by AKT2 activation assay | 17531483 |
| 3-phosphoinositide-dependent protein kinase 1 | IC50 | = | 6.0 | nM | 8.22 | Inhibition of PDK1 | 17531483 |
| 3-phosphoinositide-dependent protein kinase 1 | IC50 | = | 6.0 | nM | 8.22 | Inhibition of PDK1 (unknown origin) | 23448267 |
| 3-phosphoinositide-dependent protein kinase 1 | IC50 | = | 9.0 | nM | 8.05 | Inhibition of PDK1 (unknown origin) after 1 hr in presence of Ser/Thr-07 by fluo... | 29150397 |
| 3-phosphoinositide-dependent protein kinase 1 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of AKT phosphorylation in PC3 cells | 17544272 |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 100.0 | nM | 7.0 | Inhibition of Akt phosphorylation in PC3 cells | 17531483 |
| Unchecked | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of PKA | 17531483 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17544272 | 10.1016/j.bmcl.2007.05.060 | Rattus norvegicus | 3 |
| 17531483 | 10.1016/j.bmcl.2007.04.071 | Rattus norvegicus | 3 |
| 17531483 | 10.1016/j.bmcl.2007.04.071 | 3-phosphoinositide-dependent protein kinase 1 | 2 |
| 17531483 | 10.1016/j.bmcl.2007.04.071 | Unchecked | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 17544272 | 10.1016/j.bmcl.2007.05.060 | RAC-beta serine/threonine-protein kinase | 1 |
| 17544272 | 10.1016/j.bmcl.2007.05.060 | 3-phosphoinositide-dependent protein kinase 1 | 1 |
| 17544272 | 10.1016/j.bmcl.2007.05.060 | Liver microsomes | 1 |
| 17544272 | 10.1016/j.bmcl.2007.05.060 | No relevant target | 1 |
| 17531483 | 10.1016/j.bmcl.2007.04.071 | RAC-alpha serine/threonine-protein kinase | 1 |
| 17531483 | 10.1016/j.bmcl.2007.04.071 | No relevant target | 1 |
| 23448267 | 10.1021/jm4000227 | 3-phosphoinositide-dependent protein kinase 1 | 1 |
| 29150397 | 10.1016/j.bmcl.2017.10.041 | 3-phosphoinositide-dependent protein kinase 1 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine