Compound Detail
CHEMBL5204828
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C=CC(=O)Nc1cc(-c2cc3c(cn2)cc(-c2c(Cl)c(OC)cc(OC)c2Cl)c(=O)n3CC)c(OC)cc1N1CCN(CC)CC1
Basic Information
| ChEMBL ID | CHEMBL5204828 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UJZWFTKNCDXMDY-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
666.6
MW (Da)
6.35
ALogP
9
HBA
1
HBD
98.2
PSA (Ų)
0.20
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 8.48 | 8.48 | 3.3 | 1 |
| Hep 3B2 CHEMBL4296437 | IC50 | 7.76 | 7.76 | 17.4 | 1 |
| Huh-7 CHEMBL614039 | IC50 | 6.96 | 6.96 | 110.6 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 6.66 | 6.66 | 221.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 4 | IC50 | = | 3.3 | nM | 8.48 | Inhibition of FGFR4 (unknown origin) using Poly (Glu,Tyr) 4:1 as substrate incub... | 35635004 |
| Hep 3B2 | IC50 | = | 17.4 | nM | 7.76 | Antiproliferative activity against human Hep3B cells expressing FGF19/FGFR4 asse... | 35635004 |
| Huh-7 | IC50 | = | 110.6 | nM | 6.96 | Antiproliferative activity against human Huh-7 cells assessed as inhibition of c... | 35635004 |
| Fibroblast growth factor receptor 1 | IC50 | = | 221.0 | nM | 6.66 | Inhibition of wild type FGFR1 (unknown origin) using Poly (Glu,Tyr) 4:1 as subst... | 35635004 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35635004 | 10.1021/acs.jmedchem.1c01977 | Fibroblast growth factor receptor 1 | 1 |
| 35635004 | 10.1021/acs.jmedchem.1c01977 | Fibroblast growth factor receptor 4 | 1 |
| 35635004 | 10.1021/acs.jmedchem.1c01977 | Hep 3B2 | 1 |
| 35635004 | 10.1021/acs.jmedchem.1c01977 | Huh-7 | 1 |
| 35635004 | 10.1021/acs.jmedchem.1c01977 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine