Compound Detail
CHEMBL5283222
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COc1cccc(S(=O)(=O)n2ccc3cnc(Nc4ccc(C(=O)N5CCN(C)CC5)cc4)nc32)c1
Basic Information
| ChEMBL ID | CHEMBL5283222 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GQNPNDSRBNMIIV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
506.6
MW (Da)
2.81
ALogP
9
HBA
1
HBD
109.7
PSA (Ų)
0.43
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 6.95 | 6.95 | 111.7 | 1 |
| Huh-7 CHEMBL614039 | IC50 | 6.35 | 6.35 | 449.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 4 | IC50 | = | 111.7 | nM | 6.95 | Inhibition of FGFR4 (unknown origin) using TK as substrate incubated for 1 hr in... | 36480917 |
| Huh-7 | IC50 | = | 449.0 | nM | 6.35 | 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