Compound Detail
CHEMBL185972
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Basic Information
| ChEMBL ID | CHEMBL185972 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZPJMCHYOEAWDOT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
277.3
MW (Da)
2.48
ALogP
4
HBA
0
HBD
48.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | EC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | EC50 | = | 1600.0 | nM | 5.8 | Cytotoxicity against HeLa cell lines | 15369400 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15369400 | 10.1021/jm049625o | HeLa | 1 |
Data from ChEMBL 36 via Core Engine