Compound Detail
CHEMBL5421478
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Basic Information
| ChEMBL ID | CHEMBL5421478 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DRQTXIBLDSADNE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
436.5
MW (Da)
5.60
ALogP
6
HBA
3
HBD
100.1
PSA (Ų)
0.43
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hep 3B2 CHEMBL4296437 | IC50 | 5.64 | 5.64 | 2310.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hep 3B2 | IC50 | = | 2310.0 | nM | 5.64 | 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 | Hep 3B2 | 5 |
| 36549116 | 10.1016/j.ejmech.2022.115006 | HepG2 | 1 |
| 36549116 | 10.1016/j.ejmech.2022.115006 | Fibroblast growth factor receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine