Compound Detail
CHEMBL4286385
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Cc1cc(Oc2ccnc(NC(=O)N3CCC(N4CCN(C)CC4)CC3)c2)ccc1NC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL4286385 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HBCLIMFCYITYLF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
629.7
MW (Da)
4.92
ALogP
7
HBA
3
HBD
119.1
PSA (Ų)
0.30
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 14.0 | nM | 7.85 | Inhibition of c-MET (unknown origin) | 30248654 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 16.0 | nM | 7.8 | Inhibition of VEGFR2 (unknown origin) | 30248654 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30248654 | 10.1016/j.ejmech.2018.09.050 | Hepatocyte growth factor receptor | 1 |
| 30248654 | 10.1016/j.ejmech.2018.09.050 | Vascular endothelial growth factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine