Compound Detail
CHEMBL3678957
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CC(C)n1c(Nc2ccc(C(F)(F)F)cc2)nc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21
Basic Information
| ChEMBL ID | CHEMBL3678957 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSMLLEGNJUYKOD-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
510.6
MW (Da)
5.67
ALogP
8
HBA
2
HBD
74.1
PSA (Ų)
0.35
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.3 | 7.68 | 5.0 | 3 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 5.0 | nM | 8.3 | Inhibition Assay: The object of this assay was to test the inventive compounds f... | - |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 9.0 | nM | 8.05 | Inhibition Assay: The object of this assay was to test the inventive compounds f... | - |
| Epidermal growth factor receptor | IC50 | = | 34.0 | nM | 7.47 | Inhibition Assay: The object of this assay was to test the inventive compounds f... | - |
| Epidermal growth factor receptor | IC50 | = | 54.0 | nM | 7.27 | Inhibition Assay: The object of this assay was to test the inventive compounds f... | - |
Data from ChEMBL 36 via Core Engine