Compound Detail
CHEMBL5283169
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COc1cccc(S(=O)(=O)n2ccc3cnc(Nc4ccc(N5CCC(N(C)C)C5)cc4)nc32)c1
Basic Information
| ChEMBL ID | CHEMBL5283169 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZQISVWIIRBHLAS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
492.6
MW (Da)
3.56
ALogP
9
HBA
1
HBD
92.6
PSA (Ų)
0.42
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 7.38 | 7.38 | 41.8 | 1 |
| Huh-7 CHEMBL614039 | IC50 | 6.52 | 6.52 | 301.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 4 | IC50 | = | 41.8 | nM | 7.38 | Inhibition of FGFR4 (unknown origin) using TK as substrate incubated for 1 hr in... | 36480917 |
| Huh-7 | IC50 | = | 301.0 | nM | 6.52 | Cytotoxicity against human Huh-7 cells assessed as inhibition of cell growth inc... | 36480917 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36480917 | 10.1021/acs.jmedchem.2c01420 | Fibroblast growth factor receptor 4 | 1 |
| 36480917 | 10.1021/acs.jmedchem.2c01420 | Huh-7 | 1 |
Data from ChEMBL 36 via Core Engine