Compound Detail
CHEMBL5413733
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Basic Information
| ChEMBL ID | CHEMBL5413733 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VUWRPEGSZKAYCY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
384.4
MW (Da)
3.80
ALogP
7
HBA
4
HBD
120.4
PSA (Ų)
0.40
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hep 3B2 CHEMBL4296437 | IC50 | 5.62 | 5.62 | 2390.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hep 3B2 | IC50 | = | 2390.0 | nM | 5.62 | Cytotoxicity against human Hep3B cells assessed as inhibition of cell proliferat... | 36549116 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36549116 | 10.1016/j.ejmech.2022.115006 | Fibroblast growth factor receptor 1 | 2 |
| 36549116 | 10.1016/j.ejmech.2022.115006 | Hep 3B2 | 1 |
| 36549116 | 10.1016/j.ejmech.2022.115006 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine