Compound Detail
CHEMBL3217822
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Basic Information
| ChEMBL ID | CHEMBL3217822 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SQFMCTNAQIVXEQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
421.9
MW (Da)
5.14
ALogP
4
HBA
2
HBD
59.2
PSA (Ų)
0.29
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | EC50 | 5.1 | 5.1 | 8000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | EC50 | = | 8000.0 | nM | 5.1 | Antiproliferative activity against human HeLa cells assessed as growth inhibitio... | 25304894 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C0MD00207K | Bacillus subtilis | 1 |
| 25304894 | 10.1016/j.bmcl.2014.09.015 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine