Compound Detail
CHEMBL3905155
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CN(C)CC1(O)CCN(c2cc(NC(=O)N3CCCc4cc(CO)c(C=O)nc43)ncc2C#N)CC1
Basic Information
| ChEMBL ID | CHEMBL3905155 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CYFBASNRPLTOSW-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
493.6
MW (Da)
1.53
ALogP
9
HBA
3
HBD
145.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 7.75 | 7.75 | 18.0 | 2 |
| Fibroblast growth factor receptor 4 CHEMBL3839 | IC50 | 7.38 | 6.79 | 42.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 4 | IC50 | = | 18.0 | nM | 7.75 | Biochemical Kinase Assay: Liquid handling and incubation steps were done on an I... | - |
| Fibroblast growth factor receptor 4 | IC50 | = | 18.0 | nM | 7.75 | Inhibition of recombinant non-phosphorylated FGFR4 kinase domain (442 to 753) (u... | 32930584 |
| Fibroblast growth factor receptor 4 | IC50 | = | 42.0 | nM | 7.38 | Inhibition of FGFR4 in mouse BAF3 cells assessed as decrease in FGFR4 phosphoryl... | 32930584 |
| Fibroblast growth factor receptor 4 | IC50 | = | 638.0 | nM | 6.2 | Inhibition of FGFR4 in mouse BAF3 cells assessed as reduction in cell viability ... | 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