Compound Detail
CHEMBL211243
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL211243 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DLJNVUXERDSYFS-HKWRFOASSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
291.3
MW (Da)
3.36
ALogP
4
HBA
2
HBD
70.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 CHEMBL2095188 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Cyclin-dependent kinase 5/CDK5 activator 1 CHEMBL1907600 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| Aurora kinase C CHEMBL3935 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Aurora kinase B CHEMBL2185 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Aurora kinase A CHEMBL4722 | IC50 | 5.37 | 5.37 | 4300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 | IC50 | = | 300.0 | nM | 6.52 | Inhibition of porcine brain GSK3alpha/beta | 16854069 |
| Cyclin-dependent kinase 5/CDK5 activator 1 | IC50 | = | 400.0 | nM | 6.4 | Inhibition of mammalian CDK5/p25 | 16854069 |
| Aurora kinase C | IC50 | = | 400.0 | nM | 6.4 | Inhibition of human recombinant aurora C kinase | 17665890 |
| Unchecked | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of starfish CDK1/cyclin B in presence of 15 uM ATP | 16854069 |
| Aurora kinase B | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of human recombinant aurora B kinase | 17665890 |
| Aurora kinase A | IC50 | = | 4300.0 | nM | 5.37 | Inhibition of human recombinant aurora A kinase | 17665890 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16854069 | 10.1021/jm060314i | SH-SY5Y | 1 |
| 16854069 | 10.1021/jm060314i | Glycogen synthase kinase-3 | 1 |
| 16854069 | 10.1021/jm060314i | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 16854069 | 10.1021/jm060314i | Unchecked | 1 |
| 17665890 | 10.1021/jm070077z | Aurora kinase A | 1 |
| 17665890 | 10.1021/jm070077z | Aurora kinase B | 1 |
| 17665890 | 10.1021/jm070077z | Aurora kinase C | 1 |
Data from ChEMBL 36 via Core Engine