Compound Detail
CHEMBL5191797
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CNC(=O)c1ccc(-c2ccc(=O)n(CCc3ccc4ncc(-c5cnn(C6CCOCC6)c5)cc4c3)n2)cc1C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL5191797 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VVGBSNRZVJGQFL-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
602.6
MW (Da)
5.29
ALogP
8
HBA
1
HBD
103.9
PSA (Ų)
0.27
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 8.27 | 8.27 | 5.4 | 1 |
| Hs746T CHEMBL614579 | IC50 | 8.01 | 8.01 | 9.8 | 1 |
| NT-3 growth factor receptor CHEMBL5608 | IC50 | 7.99 | 7.99 | 10.3 | 1 |
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 7.88 | 7.88 | 13.2 | 1 |
| BDNF/NT-3 growth factors receptor CHEMBL4898 | IC50 | 7.71 | 7.71 | 19.6 | 1 |
| Tyrosine-protein kinase receptor UFO CHEMBL4895 | IC50 | 6.79 | 6.79 | 164.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 5.4 | nM | 8.27 | Inhibition of N-terminal His/SUMO tagged wild type human c-Met (1038 to 1346 res... | 36355693 |
| Hs746T | IC50 | = | 9.8 | nM | 8.01 | Antiproliferative activity against human Hs746T cells harboring MET alterations ... | 36355693 |
| NT-3 growth factor receptor | IC50 | = | 10.3 | nM | 7.99 | Inhibition of TRKC (unknown origin) | 36355693 |
| High affinity nerve growth factor receptor | IC50 | = | 13.2 | nM | 7.88 | Inhibition of TRKA (unknown origin) | 36355693 |
| BDNF/NT-3 growth factors receptor | IC50 | = | 19.6 | nM | 7.71 | Inhibition of TRKB (unknown origin) | 36355693 |
| Tyrosine-protein kinase receptor UFO | IC50 | = | 164.2 | nM | 6.79 | Inhibition of AXL (unknown origin) | 36355693 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36355693 | 10.1021/acs.jmedchem.2c00981 | BDNF/NT-3 growth factors receptor | 2 |
| 36355693 | 10.1021/acs.jmedchem.2c00981 | Tyrosine-protein kinase receptor UFO | 2 |
| 36355693 | 10.1021/acs.jmedchem.2c00981 | High affinity nerve growth factor receptor | 2 |
| 36355693 | 10.1021/acs.jmedchem.2c00981 | NT-3 growth factor receptor | 2 |
| 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