Compound Detail
CHEMBL4106685
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Basic Information
| ChEMBL ID | CHEMBL4106685 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JDSIDNMVOWOKBD-MRXNPFEDSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
423.4
MW (Da)
1.81
ALogP
8
HBA
2
HBD
137.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.35
Kd 1 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 8.35 | 8.35 | 4.5 | 2 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | Kd | 8.22 | 8.22 | 6.0 | 1 |
| Fibroblast growth factor receptor 4 CHEMBL3839 | IC50 | 7.92 | 7.79 | 12.0 | 2 |
| Huh-7 CHEMBL614039 | IC50 | 6.33 | 6.33 | 463.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 4 | IC50 | = | 4.5 | nM | 8.35 | Biochemical Kinase Assay: Liquid handling and incubation steps were done on an I... | - |
| Fibroblast growth factor receptor 4 | IC50 | = | 4.5 | nM | 8.35 | Inhibition of recombinant non-phosphorylated FGFR4 kinase domain (442 to 753) (u... | 32930584 |
| Fibroblast growth factor receptor 4 | Kd | = | 6.0 | nM | 8.22 | Displacement of reporter probe from human recombinant FGFR4 (391 to 802) express... | 32930584 |
| Fibroblast growth factor receptor 4 | IC50 | = | 12.0 | nM | 7.92 | Inhibition of FGFR4 in mouse BAF3 cells assessed as decrease in FGFR4 phosphoryl... | 32930584 |
| Fibroblast growth factor receptor 4 | IC50 | = | 22.0 | nM | 7.66 | Inhibition of FGFR4 in mouse BAF3 cells assessed as reduction in cell viability ... | 32930584 |
| Huh-7 | IC50 | = | 463.0 | nM | 6.33 | Antiproliferative activity against human HuH7 cells assessed as reduction in cel... | 32930584 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32930584 | 10.1021/acs.jmedchem.0c01019 | Fibroblast growth factor receptor 4 | 7 |
| 32930584 | 10.1021/acs.jmedchem.0c01019 | ADMET | 5 |
| 32930584 | 10.1021/acs.jmedchem.0c01019 | Huh-7 | 1 |
Data from ChEMBL 36 via Core Engine