Compound Detail
CHEMBL4099227
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Basic Information
| ChEMBL ID | CHEMBL4099227 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GYZDNQDCWZZJFK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
451.5
MW (Da)
4.20
ALogP
8
HBA
2
HBD
99.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | IC50 | 5.12 | 5.12 | 7570.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 7570.0 | nM | 5.12 | Cytotoxicity against human HeLa cells assessed as reduction in cell viability in... | 28803799 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28803799 | 10.1016/j.bmc.2017.07.048 | PC-3 | 1 |
| 28803799 | 10.1016/j.bmc.2017.07.048 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine