Compound Detail
CHEMBL1254839
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CN1CCC(Oc2ccc(NC(=O)Nc3ccc(Oc4ncnc5ccn(C)c45)cc3Cl)cc2C(F)(F)F)CC1
Basic Information
| ChEMBL ID | CHEMBL1254839 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCTRDRAFCRZEPK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
575.0
MW (Da)
6.55
ALogP
7
HBA
2
HBD
93.5
PSA (Ų)
0.27
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 12.0 | nM | 7.92 | Inhibition of His-tagged human VEGFR2 expressed in Sf9 cells | 20833551 |
| Fibroblast growth factor receptor 1 | IC50 | = | 270.0 | nM | 6.57 | Inhibition of His-tagged human FGFR1 expressed in Sf9 cells | 20833551 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20833551 | 10.1016/j.bmc.2010.08.042 | Vascular endothelial growth factor receptor 2 | 1 |
| 20833551 | 10.1016/j.bmc.2010.08.042 | Fibroblast growth factor receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine