Compound Detail
CHEMBL1094321
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Basic Information
| ChEMBL ID | CHEMBL1094321 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPVWKNICBVIRFI-INIZCTEOSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
447.5
MW (Da)
4.20
ALogP
8
HBA
2
HBD
118.4
PSA (Ų)
0.39
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3-phosphoinositide-dependent protein kinase 1 CHEMBL2534 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.95 | 6.95 | 113.0 | 1 |
| Ribosomal protein S6 kinase beta-1 CHEMBL4501 | IC50 | 6.66 | 6.66 | 219.0 | 1 |
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 6.04 | 6.04 | 905.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3-phosphoinositide-dependent protein kinase 1 | IC50 | = | 14.0 | nM | 7.85 | Inhibition of human GST-tagged-PDK1 expressed in HEK293 cells | 20074837 |
| Unchecked | IC50 | = | 113.0 | nM | 6.95 | Inhibition of PKA | 20074837 |
| Ribosomal protein S6 kinase beta-1 | IC50 | = | 219.0 | nM | 6.66 | Inhibition of p70S6K | 20074837 |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 905.0 | nM | 6.04 | Inhibition of AKT | 20074837 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20074837 | 10.1016/j.ejmech.2009.12.036 | Unchecked | 4 |
| 20074837 | 10.1016/j.ejmech.2009.12.036 | 3-phosphoinositide-dependent protein kinase 1 | 1 |
| 20074837 | 10.1016/j.ejmech.2009.12.036 | RAC-alpha serine/threonine-protein kinase | 1 |
| 20074837 | 10.1016/j.ejmech.2009.12.036 | Ribosomal protein S6 kinase beta-1 | 1 |
Data from ChEMBL 36 via Core Engine