Compound Detail
CHEMBL259141
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Basic Information
| ChEMBL ID | CHEMBL259141 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SOYJTCRGELSHIV-UHFFFAOYSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
217.3
MW (Da)
0.89
ALogP
4
HBA
2
HBD
70.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.75
Ki 2 meas. best 5.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-beta serine/threonine-protein kinase CHEMBL2431 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.81 | 5.81 | 1550.0 | 1 |
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | Ki | 5.26 | 5.26 | 5500.0 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.32 | 4.32 | 48000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-beta serine/threonine-protein kinase | IC50 | = | 180.0 | nM | 6.75 | Inhibition of PKBbeta recombinant by radiometric filter binding assay | 18345609 |
| Unchecked | IC50 | = | 1550.0 | nM | 5.81 | Inhibition of recombinant catalytic subunit PKA by radiometric filter binding as... | 18345609 |
| Mast/stem cell growth factor receptor Kit | Ki | = | 5500.0 | nM | 5.26 | Cell-Based Assays of c-Kit Mutant Kinase Activity: The c-Kit mutant D816V inhibi... | - |
| Glycogen synthase kinase-3 beta | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of GSK3-beta in human PC3M cells by ELISA | 18345609 |
| NON-PROTEIN TARGET | IC50 | = | 48000.0 | nM | 4.32 | Growth inhibition of human PC3M cells by SRB assay | 18345609 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C3MD00308F | Tyrosine-protein kinase ABL1 | 4 |
| - | 10.1039/C3MD00308F | cGMP-dependent protein kinase 1 | 2 |
| - | 10.1039/C3MD00308F | Unchecked | 2 |
| - | 10.1039/C3MD00308F | Protein kinase C beta type | 2 |
| - | 10.1039/C3MD00308F | Receptor-type tyrosine-protein kinase FLT3 | 2 |
| - | 10.1039/C3MD00308F | Fibroblast growth factor receptor 2 | 2 |
| - | 10.1039/C3MD00308F | Glycogen synthase kinase-3 beta | 1 |
| - | 10.1039/C3MD00308F | Serine/threonine-protein kinase Chk2 | 1 |
| - | 10.1039/C3MD00308F | Cyclin-dependent kinase 2 | 1 |
| - | 10.1039/C3MD00308F | Mitogen-activated protein kinase 3 | 1 |
| - | 10.1039/C3MD00308F | Mitogen-activated protein kinase 14 | 1 |
| - | 10.1039/C3MD00308F | MAP kinase p38 | 1 |
| - | 10.1039/C3MD00308F | Mitogen-activated protein kinase 13 | 1 |
| - | 10.1039/C3MD00308F | Mitogen-activated protein kinase 12 | 1 |
| - | 10.1039/C3MD00308F | Aurora kinase A | 1 |
| - | 10.1039/C3MD00308F | Aurora kinase B | 1 |
| - | 10.1039/C3MD00308F | Inhibitor of nuclear factor kappa-B kinase subunit beta | 1 |
| - | 10.1039/C3MD00308F | Serine/threonine-protein kinase Nek2 | 1 |
| 18345609 | 10.1021/jm701437d | Glycogen synthase kinase-3 beta | 1 |
| 18345609 | 10.1021/jm701437d | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine