Compound Detail
CHEMBL349810
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Basic Information
| ChEMBL ID | CHEMBL349810 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CKNBSSMNQGLXEA-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
372.8
MW (Da)
2.53
ALogP
5
HBA
3
HBD
104.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.07
Kd 1 meas. best 6.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 7.07 | 7.07 | 85.0 | 1 |
| Serine/threonine-protein kinase Nek2 CHEMBL3835 | Kd | 6.34 | 6.34 | 460.0 | 1 |
| Glycogen synthase kinase-3 alpha CHEMBL2850 | IC50 | 4.07 | 4.07 | 85000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 85.0 | nM | 7.07 | Inhibition of recombinant GSK3-beta | 18324764 |
| Serine/threonine-protein kinase Nek2 | Kd | = | 460.0 | nM | 6.34 | Inhibition of NEK2 (unknown origin) assessed as dissociation constant | 30108900 |
| Glycogen synthase kinase-3 alpha | IC50 | = | 85000.0 | nM | 4.07 | Inhibitory concentration was determined against human glycogen synthase kinase-3... | 11266159 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek2 | 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 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek1 | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek3 | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek4 | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek5 | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek6 | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek7 | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek9 | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek10 | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek11 | 1 |
Data from ChEMBL 36 via Core Engine