Compound Detail
CHEMBL405145
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Basic Information
| ChEMBL ID | CHEMBL405145 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHKGTVZWLMITRF-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
294.3
MW (Da)
2.68
ALogP
4
HBA
3
HBD
90.9
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Glycogen synthase kinase-3 alpha CHEMBL2850 | IC50 | 8.1 | 8.1 | 8.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 8.1 | 8.1 | 7.9 | 2 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 alpha | IC50 | = | 8.0 | nM | 8.1 | Inhibitory concentration against glycogen synthase kinase-3 alpha | 12941333 |
| Glycogen synthase kinase-3 alpha | IC50 | = | 8.0 | nM | 8.1 | Inhibitory activity to human glycogen synthase kinase-3 alpha (GSK-3alpha) was d... | 12941332 |
| Glycogen synthase kinase-3 beta | IC50 | = | 8.0 | nM | 8.1 | Inhibition of recombinant GSK3-beta | 18324764 |
| Unchecked | IC50 | = | 8.0 | nM | 8.1 | Inhibition of GSK3 | 17707953 |
| Unchecked | IC50 | = | 7.943 | nM | 8.1 | Inhibition of GSK3 | 17707953 |
| Cyclin-dependent kinase 2 | IC50 | = | 13.0 | nM | 7.89 | Inhibitory concentration against cyclin-dependent kinase 2 | 12941333 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17707953 | 10.1016/j.ejmech.2007.06.016 | Unchecked | 2 |
| 12941333 | 10.1016/s0960-894x(03)00646-2 | Unchecked | 2 |
| 12941333 | 10.1016/s0960-894x(03)00646-2 | Glycogen synthase kinase-3 alpha | 2 |
| 12941333 | 10.1016/s0960-894x(03)00646-2 | Ribosomal protein S6 kinase alpha-5 | 1 |
| - | 10.6019/CHEMBL3988181 | Unchecked | 1 |
| 12941333 | 10.1016/s0960-894x(03)00646-2 | Mitogen-activated protein kinase 14 | 1 |
| 12941333 | 10.1016/s0960-894x(03)00646-2 | Rho-associated protein kinase 2 | 1 |
| 12941333 | 10.1016/s0960-894x(03)00646-2 | MAP kinase-activated protein kinase 5 | 1 |
| 12941333 | 10.1016/s0960-894x(03)00646-2 | Protein kinase C alpha type | 1 |
| 12941333 | 10.1016/s0960-894x(03)00646-2 | RAC-alpha serine/threonine-protein kinase | 1 |
| 12941333 | 10.1016/s0960-894x(03)00646-2 | cAMP-dependent protein kinase (PKA) | 1 |
| 12941333 | 10.1016/s0960-894x(03)00646-2 | 3-phosphoinositide-dependent protein kinase 1 | 1 |
| 12941333 | 10.1016/s0960-894x(03)00646-2 | Ribosomal protein S6 kinase (P70S6K) | 1 |
| 12941333 | 10.1016/s0960-894x(03)00646-2 | Dual specificity mitogen-activated protein kinase kinase 1 | 1 |
| 12941333 | 10.1016/s0960-894x(03)00646-2 | MAP kinase-activated protein kinase 2 | 1 |
| 12941333 | 10.1016/s0960-894x(03)00646-2 | Mitogen-activated protein kinase; ERK1/ERK2 | 1 |
| 12941333 | 10.1016/s0960-894x(03)00646-2 | Tyrosine-protein kinase Lck | 1 |
| 12941333 | 10.1016/s0960-894x(03)00646-2 | Mitogen-activated protein kinase 8 | 1 |
| 12941333 | 10.1016/s0960-894x(03)00646-2 | Casein kinase II | 1 |
| 12941333 | 10.1016/s0960-894x(03)00646-2 | Serine/threonine-protein kinase Chk1 | 1 |
Data from ChEMBL 36 via Core Engine