Compound Detail
CHEMBL392582
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Basic Information
| ChEMBL ID | CHEMBL392582 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FIAQFUWVHGNSDW-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
357.4
MW (Da)
3.75
ALogP
7
HBA
1
HBD
83.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 9.28 | 9.28 | 0.5 | 1 |
| HeLa CHEMBL399 | IC50 | 9.05 | 9.05 | 0.9 | 1 |
| HepG2 CHEMBL395 | IC50 | 8.85 | 8.85 | 1.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 0.53 | nM | 9.28 | Cytotoxicity against human OVACAR3 cells | 17127061 |
| HeLa | IC50 | = | 0.9 | nM | 9.05 | Cytotoxicity against human HeLa cells | 17127061 |
| HepG2 | IC50 | = | 1.43 | nM | 8.85 | Cytotoxicity against human HepG2 cells | 17127061 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17127061 | 10.1016/j.bmcl.2006.11.023 | HepG2 | 4 |
| 17127061 | 10.1016/j.bmcl.2006.11.023 | HeLa | 1 |
| 17127061 | 10.1016/j.bmcl.2006.11.023 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine