Compound Detail
CHEMBL4071880
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Basic Information
| ChEMBL ID | CHEMBL4071880 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WXPXHPLWWHLUOW-WQGZHNTLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
435.1
MW (Da)
4.18
ALogP
4
HBA
3
HBD
73.7
PSA (Ų)
0.33
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HepG2 CHEMBL395 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HepG2 | IC50 | = | 16000.0 | nM | 4.8 | Cytotoxicity against human HepG2 cells assessed as cell growth inhibition after ... | 28743492 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36846374 | 10.1039/d2md00370h | Klebsiella pneumoniae | 3 |
| 28743492 | 10.1016/j.bmc.2017.07.009 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine