Compound Detail
CHEMBL3580711
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Basic Information
| ChEMBL ID | CHEMBL3580711 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZKHZWXLOSIGIGZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
223.3
MW (Da)
3.89
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HepG2 CHEMBL395 | IC50 | 4.15 | 4.15 | 70794.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HepG2 | IC50 | = | 70794.58 | nM | 4.15 | Cytotoxicity against human HepG2 cells assessed as reduction in cell viability a... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C3MD00397C | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine