Compound Detail
CHEMBL3344145
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Basic Information
| ChEMBL ID | CHEMBL3344145 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKHSAQOVWSHWQA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
369.9
MW (Da)
4.01
ALogP
5
HBA
1
HBD
56.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | EC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | EC50 | = | 5000.0 | nM | 5.3 | 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