Compound Detail
CHEMBL3344139
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Basic Information
| ChEMBL ID | CHEMBL3344139 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RUPRALCLNWCHLY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
396.9
MW (Da)
4.30
ALogP
5
HBA
1
HBD
60.5
PSA (Ų)
0.43
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | EC50 | 4.22 | 4.22 | 60000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | EC50 | = | 60000.0 | nM | 4.22 | Antiproliferative activity against human HeLa cells assessed as growth inhibitio... | 25304894 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25304894 | 10.1016/j.bmcl.2014.09.015 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine