Compound Detail
CHEMBL5570394
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C[C@@H](Oc1cc(NC(=O)Nc2nc(C=O)c(Br)cc2OCc2ccccc2)ncc1C#N)c1c(Cl)cncc1Cl
Basic Information
| ChEMBL ID | CHEMBL5570394 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GJADPVKUJFOIRY-OAHLLOKOSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
642.3
MW (Da)
6.99
ALogP
8
HBA
2
HBD
139.1
PSA (Ų)
0.19
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 7.63 | 7.63 | 23.5 | 1 |
| BaF3 CHEMBL614524 | IC50 | 7.41 | 7.41 | 39.0 | 1 |
| Hep 3B2 CHEMBL4296437 | IC50 | 6.12 | 6.12 | 749.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 4 | IC50 | = | 23.5 | nM | 7.63 | Inhibition of N-terminal 6His tagged FGFR4 (unknown origin) expressed in Escheri... | 38348819 |
| BaF3 | IC50 | = | 39.0 | nM | 7.41 | Antiproliferative activity against mouse BaF3 cells harboring wild type FGFR4 as... | 38348819 |
| Hep 3B2 | IC50 | = | 749.7 | nM | 6.12 | Antiproliferative activity against human Hep3B cells assessed as inhibition of c... | 38348819 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38348819 | 10.1021/acs.jmedchem.3c01810 | Fibroblast growth factor receptor 4 | 1 |
| 38348819 | 10.1021/acs.jmedchem.3c01810 | BaF3 | 1 |
| 38348819 | 10.1021/acs.jmedchem.3c01810 | Hep 3B2 | 1 |
Data from ChEMBL 36 via Core Engine