Compound Detail
CHEMBL1098057
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Basic Information
| ChEMBL ID | CHEMBL1098057 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZDEIBVDDZHUQLD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
403.5
MW (Da)
2.55
ALogP
7
HBA
2
HBD
102.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin A CHEMBL2094128 | IC50 | 6.98 | 6.98 | 104.0 | 1 |
| A2780 CHEMBL614004 | IC50 | 5.33 | 5.33 | 4710.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin A | IC50 | = | 104.0 | nM | 6.98 | Inhibition of CDK2/Cyclin A assessed as [33P]gamma-ATP incorporation into substr... | 20397705 |
| A2780 | IC50 | = | 4710.0 | nM | 5.33 | Antiproliferative activity against human A2780 cells assessed as intracellular A... | 20397705 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20397705 | 10.1021/jm901713n | Cyclin-dependent kinase 2/cyclin A | 1 |
| 20397705 | 10.1021/jm901713n | A2780 | 1 |
| 20397705 | 10.1021/jm901713n | Serine/threonine-protein kinase PLK1 | 1 |
| 20397705 | 10.1021/jm901713n | Aurora kinase A | 1 |
Data from ChEMBL 36 via Core Engine