Compound Detail
CHEMBL253545
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Basic Information
| ChEMBL ID | CHEMBL253545 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NZMXPMCCIUZYTE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
231.2
MW (Da)
1.50
ALogP
2
HBA
2
HBD
57.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cell division cycle 7-related protein kinase CHEMBL5443 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| A2780 CHEMBL614004 | IC50 | 6.7 | 6.7 | 200.0 | 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 | = | 9.0 | nM | 8.05 | Inhibition of human Cdc7 | 18201066 |
| A2780 | IC50 | = | 200.0 | nM | 6.7 | Antiproliferative activity against human A2780 cells after 72 hrs | 18201066 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18201066 | 10.1021/jm700956r | Cell division cycle 7-related protein kinase | 1 |
| 18201066 | 10.1021/jm700956r | A2780 | 1 |
Data from ChEMBL 36 via Core Engine