Compound Detail
CHEMBL4780066
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COCCOc1cc(NC(=O)N2CCCc3cc(CN(CCN(C)C)C(C)=O)c(C=O)nc32)ncc1C#N
Basic Information
| ChEMBL ID | CHEMBL4780066 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IAEBQFAVUQNUCZ-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
523.6
MW (Da)
2.08
ALogP
9
HBA
1
HBD
141.0
PSA (Ų)
0.35
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Fibroblast growth factor receptor 4 CHEMBL3839 | IC50 | 7.77 | 7.3 | 17.0 | 2 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 4 | IC50 | = | 2.0 | nM | 8.7 | Inhibition of recombinant non-phosphorylated FGFR4 kinase domain (442 to 753) (u... | 32930584 |
| Fibroblast growth factor receptor 4 | IC50 | = | 17.0 | nM | 7.77 | Inhibition of FGFR4 in mouse BAF3 cells assessed as decrease in FGFR4 phosphoryl... | 32930584 |
| Fibroblast growth factor receptor 4 | IC50 | = | 148.0 | nM | 6.83 | Inhibition of FGFR4 in mouse BAF3 cells assessed as reduction in cell viability ... | 32930584 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 11000.0 | nM | 4.96 | Inhibition of human ERG channel in presence of dofetilide by competition binding... | 32930584 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32930584 | 10.1021/acs.jmedchem.0c01019 | Fibroblast growth factor receptor 4 | 3 |
| 32930584 | 10.1021/acs.jmedchem.0c01019 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 32930584 | 10.1021/acs.jmedchem.0c01019 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine