Compound Detail
CHEMBL2322701
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Basic Information
| ChEMBL ID | CHEMBL2322701 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KOQSEURLFTUQRS-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
323.8
MW (Da)
4.18
ALogP
4
HBA
3
HBD
79.1
PSA (Ų)
0.46
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.47 | 7.47 | 34.0 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 7.06 | 7.06 | 88.0 | 1 |
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 6.52 | 6.52 | 303.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 34.0 | nM | 7.47 | Inhibition of KDR (unknown origin) | 24900658 |
| Fibroblast growth factor receptor 1 | IC50 | = | 50.0 | nM | 7.3 | Inhibition of FGFR1 (unknown origin) | 24900658 |
| Cyclin-dependent kinase 2 | IC50 | = | 88.0 | nM | 7.06 | Inhibition of CDK2 (unknown origin) | 24900658 |
| Cyclin-dependent kinase 4 | IC50 | = | 303.0 | nM | 6.52 | Inhibition of CDK4 (unknown origin) | 24900658 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900658 | 10.1021/ml300351e | Cyclin-dependent kinase 4 | 1 |
| 24900658 | 10.1021/ml300351e | Cyclin-dependent kinase 2 | 1 |
| 24900658 | 10.1021/ml300351e | Fibroblast growth factor receptor 1 | 1 |
| 24900658 | 10.1021/ml300351e | Vascular endothelial growth factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine