Compound Detail
CHEMBL5570033
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Basic Information
| ChEMBL ID | CHEMBL5570033 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CXLUKIBRYMSSPZ-UHFFFAOYSA-N |
3
Targets
5
Activities
3
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
437.8
MW (Da)
5.01
ALogP
8
HBA
1
HBD
112.3
PSA (Ų)
0.25
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.3
IC50 2 meas. best 8.35
Ki 1 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribosomal protein S6 kinase beta-2 CHEMBL3111 | IC50 | 8.35 | 8.35 | 4.5 | 1 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 8.35 | 8.35 | 4.5 | 1 |
| Hep 3B2 CHEMBL4296437 | EC50 | 8.3 | 8.3 | 5.0 | 1 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | EC50 | 7.52 | 7.52 | 30.0 | 1 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | Ki | 7.42 | 7.42 | 37.9 | 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 | Inhibition of N-terminal GST tagged cytoplasmic domain human FGFR4 (460 to 802 r... | 38604131 |
| Ribosomal protein S6 kinase beta-2 | IC50 | = | 4.48 | nM | 8.35 | Inhibition of human wild type S6K2 using RBER-CHKtide as substrate in presence o... | 38604131 |
| Hep 3B2 | EC50 | = | 5.0 | nM | 8.3 | Antiproliferative activity against human Hep3B cells measured after 4 days by Ce... | 38604131 |
| Fibroblast growth factor receptor 4 | EC50 | = | 30.0 | nM | 7.52 | Inhibition of full length nanoluc-fused FGFR4 transfected in HEK293T cells asses... | 38604131 |
| Fibroblast growth factor receptor 4 | Ki | = | 37.9 | nM | 7.42 | Binding affinity to N-terminal GST tagged cytoplasmic domain human FGFR4 (460 to... | 38604131 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38604131 | 10.1021/acs.jmedchem.3c02483 | Fibroblast growth factor receptor 4 | 7 |
| 38604131 | 10.1021/acs.jmedchem.3c02483 | Fibroblast growth factor receptor 1 | 2 |
| 38604131 | 10.1021/acs.jmedchem.3c02483 | Fibroblast growth factor receptor 2 | 2 |
| 38604131 | 10.1021/acs.jmedchem.3c02483 | Fibroblast growth factor receptor 3 | 2 |
| 38604131 | 10.1021/acs.jmedchem.3c02483 | Dual specificity protein kinase TTK | 1 |
| 38604131 | 10.1021/acs.jmedchem.3c02483 | Ribosomal protein S6 kinase beta-2 | 1 |
| 38604131 | 10.1021/acs.jmedchem.3c02483 | MAP kinase-activated protein kinase 2 | 1 |
| 38604131 | 10.1021/acs.jmedchem.3c02483 | MAP kinase-activated protein kinase 3 | 1 |
| 38604131 | 10.1021/acs.jmedchem.3c02483 | Hep 3B2 | 1 |
Data from ChEMBL 36 via Core Engine