Compound Detail
CHEMBL213650
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Basic Information
| ChEMBL ID | CHEMBL213650 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DFPCCEYOLMXHFI-UHFFFAOYSA-N |
5
Targets
8
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
311.7
MW (Da)
5.07
ALogP
3
HBA
3
HBD
81.2
PSA (Ų)
0.45
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase C CHEMBL3935 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.43 | 5.43 | 3700.0 | 1 |
| Cyclin-dependent kinase 5/CDK5 activator 1 CHEMBL1907600 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
| Aurora kinase B CHEMBL2185 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
| SH-SY5Y CHEMBL614910 | IC50 | 5.0 | 4.9325 | 10000.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase C | IC50 | = | 900.0 | nM | 6.05 | Inhibition of human recombinant aurora C kinase | 17665890 |
| Unchecked | IC50 | = | 3700.0 | nM | 5.43 | Inhibition of starfish CDK1/cyclin B in presence of 15 uM ATP | 16854069 |
| Cyclin-dependent kinase 5/CDK5 activator 1 | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of mammalian CDK5/p25 | 16854069 |
| Aurora kinase B | IC50 | = | 8000.0 | nM | 5.1 | Inhibition of human recombinant aurora B kinase | 17665890 |
| SH-SY5Y | IC50 | = | 10000.0 | nM | 5.0 | Death of human SH-SY5Y cells in absence of 20 uM Q-VD-OPh by MTS reduction assay | 16854069 |
| SH-SY5Y | IC50 | = | 11000.0 | nM | 4.96 | Death of human SH-SY5Y cells in presence of 20 uM Q-VD-OPh by MTS reduction assa... | 16854069 |
| SH-SY5Y | IC50 | = | 12000.0 | nM | 4.92 | Survival of human SH-SY5Y cells after 48 hrs by MTS reduction assay | 16854069 |
| SH-SY5Y | IC50 | = | 14000.0 | nM | 4.85 | Survival of human SH-SY5Y cells after 24 hrs by MTS reduction assay | 16854069 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16854069 | 10.1021/jm060314i | SH-SY5Y | 6 |
| 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