Compound Detail
CHEMBL5422680
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COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C1CCN(C(=O)C(F)(F)F)CC1
Basic Information
| ChEMBL ID | CHEMBL5422680 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SZAVVSOQBQSWSW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
563.0
MW (Da)
6.24
ALogP
5
HBA
2
HBD
92.8
PSA (Ų)
0.37
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Huh-7 CHEMBL614039 | IC50 | 5.85 | 5.85 | 1406.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Huh-7 | IC50 | = | 1406.0 | nM | 5.85 | Antiproliferative activity against human Huh-7 cells incubated for 72 hrs by Cel... | 37335602 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37335602 | 10.1021/acs.jmedchem.3c00455 | Fibroblast growth factor receptor 4 | 1 |
| 37335602 | 10.1021/acs.jmedchem.3c00455 | Huh-7 | 1 |
| 37335602 | 10.1021/acs.jmedchem.3c00455 | Hep 3B2 | 1 |
Data from ChEMBL 36 via Core Engine