Compound Detail
CHEMBL4742811
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Basic Information
| ChEMBL ID | CHEMBL4742811 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DZGMBBPPVCVYNF-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
4
PK Parameters
6
Publications
0
Known Names
Molecular Properties
430.4
MW (Da)
3.14
ALogP
7
HBA
2
HBD
120.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 9.05 | 9.05 | 0.9 | 1 |
| Fibroblast growth factor receptor 4 CHEMBL3839 | IC50 | 8.02 | 8.02 | 9.5 | 1 |
| Huh-7 CHEMBL614039 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
| Hep 3B2 CHEMBL4296437 | IC50 | 7.36 | 7.36 | 44.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.0 | 6.0 | 1003.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 40.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 80.0 | % | Rattus norvegicus |
| F | 7.0 | % | Rattus norvegicus |
| T1/2 | 2.3 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 4 | IC50 | = | 0.9 | nM | 9.05 | Inhibition of recombinant non-phosphorylated FGFR4 kinase domain (442 to 753) (u... | 32930584 |
| Fibroblast growth factor receptor 4 | IC50 | = | 9.5 | nM | 8.02 | Inhibition of FGFR4 in mouse BAF3 cells assessed as decrease in FGFR4 phosphoryl... | 32930584 |
| Huh-7 | IC50 | = | 27.0 | nM | 7.57 | Antiproliferative activity against human HuH7 cells assessed as reduction in cel... | 32930584 |
| Hep 3B2 | IC50 | = | 44.0 | nM | 7.36 | Antiproliferative activity against human Hep3B cells assessed as reduction in ce... | 32930584 |
| Unchecked | IC50 | = | 1003.0 | nM | 6.0 | Antiproliferative activity against human JHH7 cells assessed as reduction in cel... | 32930584 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32930584 | 10.1021/acs.jmedchem.0c01019 | ADMET | 14 |
| 32930584 | 10.1021/acs.jmedchem.0c01019 | Fibroblast growth factor receptor 4 | 2 |
| 32930584 | 10.1021/acs.jmedchem.0c01019 | Huh-7 | 1 |
| 32930584 | 10.1021/acs.jmedchem.0c01019 | No relevant target | 1 |
| 32930584 | 10.1021/acs.jmedchem.0c01019 | Hep 3B2 | 1 |
| 32930584 | 10.1021/acs.jmedchem.0c01019 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine