Compound Detail
CHEMBL3968334
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Basic Information
| ChEMBL ID | CHEMBL3968334 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTYSXMGILYNNJX-UHFFFAOYSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
493.5
MW (Da)
1.56
ALogP
9
HBA
2
HBD
149.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 9.4 | 9.2 | 0.4 | 3 |
| Fibroblast growth factor receptor 4 CHEMBL3839 | IC50 | 8.35 | 8.35 | 4.5 | 1 |
| Hep 3B2 CHEMBL4296437 | IC50 | 8.05 | 8.05 | 8.9 | 1 |
| Huh-7 CHEMBL614039 | IC50 | 7.76 | 7.68 | 17.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 4 | IC50 | = | 0.4 | nM | 9.4 | Biochemical Kinase Assay: Liquid handling and incubation steps were done on an I... | - |
| Fibroblast growth factor receptor 4 | IC50 | = | 0.4 | nM | 9.4 | Inhibition of recombinant non-phosphorylated FGFR4 kinase domain (442 to 753) (u... | 32930584 |
| Fibroblast growth factor receptor 4 | IC50 | = | 1.6 | nM | 8.8 | Inhibition of FGFR4 (unknown origin) incubated for 60 mins by caliper microfluid... | 30987781 |
| Fibroblast growth factor receptor 4 | IC50 | = | 4.5 | nM | 8.35 | Inhibition of FGFR4 in mouse BAF3 cells assessed as decrease in FGFR4 phosphoryl... | 32930584 |
| Hep 3B2 | IC50 | = | 8.9 | nM | 8.05 | Antiproliferative activity against human Hep3B cells with high FGFR4 expression ... | 30987781 |
| Huh-7 | IC50 | = | 17.3 | nM | 7.76 | Antiproliferative activity against human HuH7 cells with high FGFR4 expression a... | 30987781 |
| Huh-7 | IC50 | = | 25.0 | nM | 7.6 | Antiproliferative activity against human HuH7 cells assessed as reduction in cel... | 32930584 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5724801 | HEK-293T | 320 |
| - | 10.6019/CHEMBL5724801 | U2OS | 320 |
| - | 10.6019/CHEMBL5724801 | Fibroblast | 320 |
| - | 10.6019/CHEMBL5303304 | Fibroblast | 7 |
| 32930584 | 10.1021/acs.jmedchem.0c01019 | Fibroblast growth factor receptor 4 | 2 |
| - | 10.6019/CHEMBL5303304 | HEK-293T | 2 |
| - | 10.6019/CHEMBL5303304 | U2OS | 2 |
| 30987781 | 10.1016/j.bmc.2019.04.018 | Fibroblast growth factor receptor 1 | 1 |
| 30987781 | 10.1016/j.bmc.2019.04.018 | Hep 3B2 | 1 |
| 30987781 | 10.1016/j.bmc.2019.04.018 | Huh-7 | 1 |
| 30987781 | 10.1016/j.bmc.2019.04.018 | Fibroblast growth factor receptor 4 | 1 |
| 30987781 | 10.1016/j.bmc.2019.04.018 | SK-HEP1 | 1 |
| 32930584 | 10.1021/acs.jmedchem.0c01019 | ADMET | 1 |
| 32930584 | 10.1021/acs.jmedchem.0c01019 | Huh-7 | 1 |
Data from ChEMBL 36 via Core Engine