Compound Detail
CHEMBL4206279
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4206279 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LKCUBHWOOVFNOL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
476.8
MW (Da)
5.25
ALogP
7
HBA
1
HBD
62.5
PSA (Ų)
0.40
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | IC50 | 4.1 | 4.1 | 79800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 79800.0 | nM | 4.1 | Cytotoxicity against human HeLa cells assessed as reduction in cell viability af... | 29138027 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29138027 | 10.1016/j.bmcl.2017.10.060 | Unchecked | 3 |
| 29138027 | 10.1016/j.bmcl.2017.10.060 | A549 | 1 |
| 29138027 | 10.1016/j.bmcl.2017.10.060 | HeLa | 1 |
| 29138027 | 10.1016/j.bmcl.2017.10.060 | U-87 MG | 1 |
| 29138027 | 10.1016/j.bmcl.2017.10.060 | Peritoneal macrophage | 1 |
Data from ChEMBL 36 via Core Engine