Compound Detail
CHEMBL495758
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Basic Information
| ChEMBL ID | CHEMBL495758 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IYTGPPNUOLLGBE-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
184.2
MW (Da)
1.95
ALogP
2
HBA
2
HBD
57.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase A CHEMBL4722 | IC50 | 6.04 | 6.04 | 910.0 | 2 |
| Aurora kinase B CHEMBL2185 | IC50 | 5.19 | 5.19 | 6500.0 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 4.6 | 4.575 | 25000.0 | 2 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 4.55 | 4.55 | 28000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase A | IC50 | = | 910.0 | nM | 6.04 | Inhibition of Aurora A | 19143567 |
| Aurora kinase A | IC50 | = | 910.0 | nM | 6.04 | Inhibition of Aurora A (unknown origin) | 24811300 |
| Aurora kinase B | IC50 | = | 6500.0 | nM | 5.19 | Inhibition of Aurora B | 19143567 |
| Cyclin-dependent kinase 2 | IC50 | = | 25000.0 | nM | 4.6 | Inhibition of CDK2/Cyclin A by radiometric assay | 18656911 |
| Cyclin-dependent kinase 2 | IC50 | = | 28000.0 | nM | 4.55 | Inhibition of CDK2/Cyclin A | 19143567 |
| Cyclin-dependent kinase 1 | IC50 | = | 28000.0 | nM | 4.55 | Inhibition of CDK1 (unknown origin) | 24811300 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19143567 | 10.1021/jm800984v | Aurora kinase A | 1 |
| 19143567 | 10.1021/jm800984v | Aurora kinase B | 1 |
| 19143567 | 10.1021/jm800984v | Cyclin-dependent kinase 2 | 1 |
| 19143567 | 10.1021/jm800984v | HCT-116 | 1 |
| 19143567 | 10.1021/jm800984v | Cyclin-dependent kinase 1/cyclin B1 | 1 |
| 18656911 | 10.1021/jm800382h | Cyclin-dependent kinase 2 | 1 |
| 24811300 | 10.1016/j.bmc.2014.04.019 | Aurora kinase A | 1 |
| 24811300 | 10.1016/j.bmc.2014.04.019 | Cyclin-dependent kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine