Compound Detail
CHEMBL4085453
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Basic Information
| ChEMBL ID | CHEMBL4085453 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JVHVEGZVSPKPJU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
3.71
ALogP
5
HBA
1
HBD
63.6
PSA (Ų)
0.47
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | EC50 | 4.66 | 4.66 | 22100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | EC50 | = | 22100.0 | nM | 4.66 | Cytotoxicity against human HeLa cells by MTT assay | 28958621 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28958621 | 10.1016/j.bmcl.2017.08.045 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine