Compound Detail
CHEMBL5574432
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C[C@@H](Oc1cc(NC(=O)Nc2nc(C=O)c(Br)cc2OCCN2CCN(C)CC2)ncc1C#N)c1c(Cl)cncc1Cl
Basic Information
| ChEMBL ID | CHEMBL5574432 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RGOMMDBKWSZVMG-MRXNPFEDSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
678.4
MW (Da)
5.04
ALogP
10
HBA
2
HBD
145.6
PSA (Ų)
0.28
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hep 3B2 CHEMBL4296437 | IC50 | 8.31 | 8.31 | 4.9 | 1 |
| Huh-7 CHEMBL614039 | IC50 | 7.77 | 7.77 | 16.9 | 1 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 7.72 | 7.72 | 19.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hep 3B2 | IC50 | = | 4.9 | nM | 8.31 | Antiproliferative activity against human Hep3B cells assessed as inhibition of c... | 38348819 |
| Huh-7 | IC50 | = | 16.9 | nM | 7.77 | Antiproliferative activity against FGF19/FGFR4 dependent human Huh-7 cells asses... | 38348819 |
| Fibroblast growth factor receptor 4 | IC50 | = | 19.1 | nM | 7.72 | Inhibition of N-terminal 6His tagged FGFR4 (unknown origin) expressed in Escheri... | 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