Compound Detail
CHEMBL1164816
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Basic Information
| ChEMBL ID | CHEMBL1164816 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SETJXTDZSDYIJJ-XYOKQWHBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
396.4
MW (Da)
4.44
ALogP
6
HBA
2
HBD
93.1
PSA (Ų)
0.24
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 16000.0 | nM | 4.8 | Cytotoxicity against human HeLa cells after 72 hrs by MTT assay | 20153559 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20153559 | 10.1016/j.ejmech.2010.01.060 | HeLa | 1 |
| 20153559 | 10.1016/j.ejmech.2010.01.060 | No relevant target | 1 |
| 20153559 | 10.1016/j.ejmech.2010.01.060 | NON-PROTEIN TARGET | 1 |
| 20153559 | 10.1016/j.ejmech.2010.01.060 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine