Compound Detail
CHEMBL5597495
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Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)/C(=C/c1nc3ccccc3[nH]1)C(=O)N2.Cl
Basic Information
| ChEMBL ID | CHEMBL5597495 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FFCUGJYLROAILZ-VSORCOHTSA-N |
| Parent Compound | CHEMBL6068900 |
| Active Moiety | CHEMBL6068900 |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
430.5
MW (Da)
4.16
ALogP
4
HBA
3
HBD
104.0
PSA (Ų)
0.42
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 7.84 | 7.84 | 14.4 | 1 |
| BDNF/NT-3 growth factors receptor CHEMBL4898 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 5.83 | 5.83 | 1463.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 14.37 | nM | 7.84 | Inhibition of c-MET (unknown origin) | 38733884 |
| BDNF/NT-3 growth factors receptor | IC50 | = | 25.0 | nM | 7.6 | Inhibition of TRKB (unknown origin) | 38733884 |
| High affinity nerve growth factor receptor | IC50 | = | 28.0 | nM | 7.55 | Inhibition of TRKA (unknown origin) | 38733884 |
| HepG2 | IC50 | = | 1463.0 | nM | 5.83 | Antiproliferative activity against human HepG2 cells assessed as reduction in ce... | 38733884 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38733884 | 10.1016/j.ejmech.2024.116477 | HepG2 | 3 |
| 38733884 | 10.1016/j.ejmech.2024.116477 | Hepatocyte growth factor receptor | 1 |
| 38733884 | 10.1016/j.ejmech.2024.116477 | High affinity nerve growth factor receptor | 1 |
| 38733884 | 10.1016/j.ejmech.2024.116477 | BDNF/NT-3 growth factors receptor | 1 |
Data from ChEMBL 36 via Core Engine