Compound Detail
CHEMBL4514997
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CN1CCN(C2CCN(C(=O)Nc3cc(Oc4ccc(CC(=O)C5(C(=O)Nc6ccc(F)cc6)CC5)c(F)c4)ccn3)CC2)CC1
Basic Information
| ChEMBL ID | CHEMBL4514997 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXNQFNASDNFQMJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
632.7
MW (Da)
4.93
ALogP
7
HBA
2
HBD
107.1
PSA (Ų)
0.32
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 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 |
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) | 27524312 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27524312 | 10.1016/j.bmcl.2016.07.077 | Hepatocyte growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine