Compound Detail
CHEMBL5419075
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COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C1CCN(C(=O)/C=C/C(F)(F)F)CC1
Basic Information
| ChEMBL ID | CHEMBL5419075 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ONUVKKUEBKTVTL-UXBLZVDNSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
589.0
MW (Da)
6.80
ALogP
5
HBA
2
HBD
92.8
PSA (Ų)
0.30
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 7.91 | 7.91 | 12.4 | 1 |
| Huh-7 CHEMBL614039 | IC50 | 6.99 | 6.99 | 102.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 4 | IC50 | = | 12.36 | nM | 7.91 | Inhibition of FGFR4 (unknown origin) incubated for 10 mins followed by substrate... | 37335602 |
| Huh-7 | IC50 | = | 102.62 | nM | 6.99 | 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