Compound Detail
CHEMBL5569572
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COCCOc1cc(Br)c(C=O)nc1NC(=O)Nc1cc(O[C@H](C)c2c(Cl)cncc2Cl)c(C#N)cn1
Basic Information
| ChEMBL ID | CHEMBL5569572 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XSKZHEOMBCBOLK-GFCCVEGCSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
610.2
MW (Da)
5.43
ALogP
9
HBA
2
HBD
148.3
PSA (Ų)
0.23
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BaF3 CHEMBL614524 | IC50 | 9.22 | 9.22 | 0.6 | 1 |
| Hep 3B2 CHEMBL4296437 | IC50 | 8.36 | 8.36 | 4.4 | 1 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 7.66 | 7.66 | 22.1 | 1 |
| Huh-7 CHEMBL614039 | IC50 | 7.26 | 7.26 | 55.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BaF3 | IC50 | = | 0.6 | nM | 9.22 | Antiproliferative activity against mouse BaF3 cells harboring wild type FGFR4 as... | 38348819 |
| Hep 3B2 | IC50 | = | 4.4 | nM | 8.36 | Antiproliferative activity against human Hep3B cells assessed as inhibition of c... | 38348819 |
| Fibroblast growth factor receptor 4 | IC50 | = | 22.1 | nM | 7.66 | Inhibition of N-terminal 6His tagged FGFR4 (unknown origin) expressed in Escheri... | 38348819 |
| Huh-7 | IC50 | = | 55.5 | nM | 7.26 | Antiproliferative activity against FGF19/FGFR4 dependent human Huh-7 cells asses... | 38348819 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38348819 | 10.1021/acs.jmedchem.3c01810 | BaF3 | 2 |
| 38348819 | 10.1021/acs.jmedchem.3c01810 | Fibroblast growth factor receptor 4 | 1 |
| 38348819 | 10.1021/acs.jmedchem.3c01810 | Hep 3B2 | 1 |
| 38348819 | 10.1021/acs.jmedchem.3c01810 | HEK293 | 1 |
| 38348819 | 10.1021/acs.jmedchem.3c01810 | Huh-7 | 1 |
Data from ChEMBL 36 via Core Engine