Compound Detail
CHEMBL210246
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Basic Information
| ChEMBL ID | CHEMBL210246 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQHAJHBMGVFBAP-NRFANRHFSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
412.5
MW (Da)
4.87
ALogP
4
HBA
2
HBD
76.8
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 8.46 | 7.52 | 3.5 | 3 |
| cAMP-dependent protein kinase (PKA) CHEMBL2094138 | IC50 | 7.32 | 7.32 | 48.0 | 1 |
| MIA PaCa-2 CHEMBL614725 | IC50 | 5.5 | 5.5 | 3180.0 | 1 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 5.47 | 5.47 | 3400.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 3.5 | nM | 8.46 | Inhibition of Akt1 at 5 uM ATP | 16603355 |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 3.5 | nM | 8.46 | Inhibition of Akt | 19497644 |
| cAMP-dependent protein kinase (PKA) | IC50 | = | 48.0 | nM | 7.32 | Inhibition of PKA at 5 uM ATP | 16603355 |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 2300.0 | nM | 5.64 | Antiproliferative activity against mouse FL5.12 cells overexpressing Akt1 by MTT... | 16603355 |
| MIA PaCa-2 | IC50 | = | 3180.0 | nM | 5.5 | Antiproliferative activity against human MiaPaCa2 cells by MTT assay | 16603355 |
| Cyclin-dependent kinase 1 | IC50 | = | 3400.0 | nM | 5.47 | Inhibition of CDK1 at 5 uM ATP | 16603355 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 18000.0 | nM | 4.75 | Inhibition of SRC at 5 uM ATP | 16603355 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16603355 | 10.1016/j.bmcl.2006.03.041 | RAC-alpha serine/threonine-protein kinase | 3 |
| 16603355 | 10.1016/j.bmcl.2006.03.041 | RAC-beta serine/threonine-protein kinase | 1 |
| 16603355 | 10.1016/j.bmcl.2006.03.041 | RAC-gamma serine/threonine-protein kinase | 1 |
| 16603355 | 10.1016/j.bmcl.2006.03.041 | cAMP-dependent protein kinase (PKA) | 1 |
| 16603355 | 10.1016/j.bmcl.2006.03.041 | Protein kinase C gamma type | 1 |
| 16603355 | 10.1016/j.bmcl.2006.03.041 | Protein kinase C epsilon type | 1 |
| 16603355 | 10.1016/j.bmcl.2006.03.041 | Cyclin-dependent kinase 1 | 1 |
| 16603355 | 10.1016/j.bmcl.2006.03.041 | Mitogen-activated protein kinase 1 | 1 |
| 16603355 | 10.1016/j.bmcl.2006.03.041 | Casein kinase II | 1 |
| 16603355 | 10.1016/j.bmcl.2006.03.041 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 16603355 | 10.1016/j.bmcl.2006.03.041 | MIA PaCa-2 | 1 |
| 19497644 | 10.1016/j.ejmech.2009.04.050 | RAC-alpha serine/threonine-protein kinase | 1 |
Data from ChEMBL 36 via Core Engine