Compound Detail
CHEMBL495556
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Basic Information
| ChEMBL ID | CHEMBL495556 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMRFHULWSHKVIH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
257.3
MW (Da)
1.12
ALogP
4
HBA
3
HBD
96.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cell division cycle 7-related protein kinase CHEMBL5443 | IC50 | 7.19 | 7.19 | 64.0 | 1 |
| A2780 CHEMBL614004 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cell division cycle 7-related protein kinase | IC50 | = | 64.0 | nM | 7.19 | Inhibition of human Cdc7 assessed as inhibition of rate of phosphorylation of Mc... | 19115845 |
| A2780 | IC50 | = | 1800.0 | nM | 5.75 | Antiproliferative activity against human A2780 cells after 72 hrs by luciferase ... | 19115845 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19115845 | 10.1021/jm800977q | Cell division cycle 7-related protein kinase | 1 |
| 19115845 | 10.1021/jm800977q | A2780 | 1 |
Data from ChEMBL 36 via Core Engine