Compound Detail
CHEMBL156563
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Basic Information
| ChEMBL ID | CHEMBL156563 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XMKRZXOTGFXMPH-UHFFFAOYSA-N |
5
Targets
7
Activities
3
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
344.8
MW (Da)
3.54
ALogP
4
HBA
2
HBD
58.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 6.34
IC50 2 meas. best 6.79
Ki 2 meas. best 7.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| STE20-like serine/threonine-protein kinase CHEMBL4202 | Ki | 7.23 | 7.23 | 59.0 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 6.79 | 6.79 | 161.0 | 1 |
| Dual specificity protein kinase CLK2 CHEMBL4225 | Kd | 6.34 | 6.34 | 460.0 | 1 |
| Glycogen synthase kinase-3 alpha CHEMBL2850 | Kd | 6.24 | 6.24 | 580.0 | 1 |
| Serine/threonine-protein kinase 10 CHEMBL3981 | Ki | 6.12 | 6.12 | 760.0 | 1 |
| STE20-like serine/threonine-protein kinase CHEMBL4202 | Kd | 6.11 | 6.11 | 770.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| STE20-like serine/threonine-protein kinase | Ki | = | 59.0 | nM | 7.23 | Binding affinity human SLK by binding displacement assay | 34463505 |
| Glycogen synthase kinase-3 beta | IC50 | = | 161.0 | nM | 6.79 | Inhibition of recombinant GSK3-beta | 18324764 |
| Dual specificity protein kinase CLK2 | Kd | = | 460.0 | nM | 6.34 | Inhibition of wild-type human partial length CLK2 (D144 to R498 residues) expres... | 34463505 |
| Glycogen synthase kinase-3 alpha | Kd | = | 580.0 | nM | 6.24 | Inhibition of wild-type human full length GSK3A (M1 to S483 residues) expressed ... | 34463505 |
| Serine/threonine-protein kinase 10 | Ki | = | 760.0 | nM | 6.12 | Binding affinity human STK10 by binding displacement assay | 34463505 |
| STE20-like serine/threonine-protein kinase | Kd | = | 770.0 | nM | 6.11 | Inhibition of wild-type human partial length SLK (S14 to A307 residues) expresse... | 34463505 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34463505 | 10.1021/acs.jmedchem.0c01579 | STE20-like serine/threonine-protein kinase | 3 |
| 34463505 | 10.1021/acs.jmedchem.0c01579 | MAP kinase-interacting serine/threonine-protein kinase 1 | 2 |
| 34463505 | 10.1021/acs.jmedchem.0c01579 | Dual specificity protein kinase CLK2 | 2 |
| 34463505 | 10.1021/acs.jmedchem.0c01579 | Glycogen synthase kinase-3 alpha | 2 |
| 34463505 | 10.1021/acs.jmedchem.0c01579 | 3-phosphoinositide-dependent protein kinase 1 | 2 |
| 11266159 | 10.1016/s0960-894x(00)00721-6 | Glycogen synthase kinase-3 alpha | 1 |
| 18324764 | 10.1021/jm7009765 | Glycogen synthase kinase-3 beta | 1 |
| - | 10.6019/CHEMBL3988181 | Unchecked | 1 |
| 34463505 | 10.1021/acs.jmedchem.0c01579 | Dual specificity tyrosine-phosphorylation-regulated kinase 1B | 1 |
| 34463505 | 10.1021/acs.jmedchem.0c01579 | Dual specificity mitogen-activated protein kinase kinase 6 | 1 |
| 34463505 | 10.1021/acs.jmedchem.0c01579 | Serine/threonine-protein kinase Nek1 | 1 |
| 34463505 | 10.1021/acs.jmedchem.0c01579 | Dual specificity protein kinase CLK1 | 1 |
| 34463505 | 10.1021/acs.jmedchem.0c01579 | cAMP-dependent protein kinase catalytic subunit alpha | 1 |
| 34463505 | 10.1021/acs.jmedchem.0c01579 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
| 34463505 | 10.1021/acs.jmedchem.0c01579 | Serine/threonine-protein kinase 10 | 1 |
| 34463505 | 10.1021/acs.jmedchem.0c01579 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine