Compound Detail
CHEMBL121958
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Basic Information
| ChEMBL ID | CHEMBL121958 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DJCQWLAUTLNODY-XVNBXDOJSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
400.4
MW (Da)
4.53
ALogP
3
HBA
2
HBD
71.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 6.46 | 6.46 | 349.9 | 1 |
| Cyclin-dependent kinase 1/cyclin B CHEMBL2094127 | IC50 | 5.37 | 5.37 | 4295.4 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.37 | 5.37 | 4300.0 | 1 |
| Cyclin-dependent kinase 5/CDK5 activator 1 CHEMBL1907600 | IC50 | 4.82 | 4.82 | 14996.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 349.95 | nM | 6.46 | Inhibitory activity against glycogen synthase kinase-3 beta purified from insect... | 14695817 |
| Cyclin-dependent kinase 1/cyclin B | IC50 | = | 4300.0 | nM | 5.37 | Inhibition of Cyclin-dependent kinase 1-cyclin B from Starfish oocytes | 10741555 |
| Cyclin-dependent kinase 1/cyclin B | IC50 | = | 4295.36 | nM | 5.37 | Inhibitory activity against cyclin dependent kinase 1-cyclinB extracted from M p... | 14695817 |
| Unchecked | IC50 | = | 4300.0 | nM | 5.37 | Inhibition of CDK1/cyclin B isolated from Marthasterias glacialis oocytes using ... | 28803677 |
| Cyclin-dependent kinase 5/CDK5 activator 1 | IC50 | = | 14996.85 | nM | 4.82 | Inhibitory activity against cyclin-dependent kinase 5/p25 | 14695817 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10741555 | 10.1016/s0960-894x(00)00048-2 | Cyclin-dependent kinase 1/cyclin B | 1 |
| 10741555 | 10.1016/s0960-894x(00)00048-2 | HCT-116 | 1 |
| 10741555 | 10.1016/s0960-894x(00)00048-2 | NON-PROTEIN TARGET | 1 |
| 14695817 | 10.1021/jm0308904 | Cyclin-dependent kinase 1/cyclin B | 1 |
| 14695817 | 10.1021/jm0308904 | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 14695817 | 10.1021/jm0308904 | Glycogen synthase kinase-3 beta | 1 |
| 28803677 | 10.1016/j.ejmech.2017.07.042 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine