Compound Detail
CHEMBL4645582
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C[C@@H](Oc1cncc(-c2cnn(C3CCN(CC(N)=O)CC3)c2)c1)c1c(Cl)ccc(F)c1Cl
Basic Information
| ChEMBL ID | CHEMBL4645582 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SFQMXFAAJRZASN-CQSZACIVSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
492.4
MW (Da)
4.65
ALogP
6
HBA
1
HBD
86.3
PSA (Ų)
0.49
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| MKN-45 CHEMBL614354 | IC50 | 6.95 | 6.95 | 113.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 3.0 | nM | 8.52 | Inhibition of c-Met (unknown origin) by ADP-Glo kinase assay | 32371098 |
| MKN-45 | IC50 | = | 113.0 | nM | 6.95 | Antiproliferative activity against human MKN45 cells overexpressing c-MET assess... | 32371098 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32371098 | 10.1016/j.bmcl.2020.127189 | Hepatocyte growth factor receptor | 1 |
| 32371098 | 10.1016/j.bmcl.2020.127189 | MKN-45 | 1 |
Data from ChEMBL 36 via Core Engine