Compound Detail
CHEMBL5204053
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CNC(=O)c1ccc(-c2ccc(=O)n(CCc3ccc4ncc(NCCN5CCCCC5)cc4c3)n2)cc1C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL5204053 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NULBWEXDJCDLOD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
578.6
MW (Da)
4.98
ALogP
7
HBA
2
HBD
92.2
PSA (Ų)
0.29
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 7.58 | 7.58 | 26.4 | 1 |
| Hs746T CHEMBL614579 | IC50 | 6.37 | 6.37 | 428.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 26.4 | nM | 7.58 | Inhibition of N-terminal His/SUMO tagged wild type human c-Met (1038 to 1346 res... | 36355693 |
| Hs746T | IC50 | = | 428.3 | nM | 6.37 | Antiproliferative activity against human Hs746T cells harboring MET alterations ... | 36355693 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36355693 | 10.1021/acs.jmedchem.2c00981 | Hepatocyte growth factor receptor | 1 |
| 36355693 | 10.1021/acs.jmedchem.2c00981 | Hs746T | 1 |
Data from ChEMBL 36 via Core Engine