Compound Detail
CHEMBL8951
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Basic Information
| ChEMBL ID | CHEMBL8951 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DLBQFLWCDFTEQG-OAHLLOKOSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
3.08
ALogP
6
HBA
2
HBD
100.9
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sterol O-acyltransferase 1 CHEMBL2782 | IC50 | 4.65 | 4.65 | 22400.0 | 1 |
| Sterol O-acyltransferase 2 CHEMBL4465 | IC50 | 4.54 | 4.54 | 28700.0 | 1 |
| DNA topoisomerase 1 CHEMBL1781 | IC50 | 4.36 | 4.36 | 44000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sterol O-acyltransferase 1 | IC50 | = | 22400.0 | nM | 4.65 | Inhibition of human ACAT1 expressed in Hi5 cells | 17157006 |
| Sterol O-acyltransferase 2 | IC50 | = | 28700.0 | nM | 4.54 | Inhibition of human ACAT2 expressed in Hi5 cells | 17157006 |
| DNA topoisomerase 1 | IC50 | = | 44000.0 | nM | 4.36 | Inhibitory activity against DNA topoisomerase-1 obtained from Hela cells | 7699697 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1584/jpestics.23.54 | Cladosporium herbarum | 4 |
| - | 10.1584/jpestics.23.54 | Tobacco mosaic virus | 2 |
| 7699697 | 10.1021/jm00006a025 | DNA topoisomerase 1 | 1 |
| 17157006 | 10.1016/j.bmcl.2006.11.024 | Sterol O-acyltransferase 1 | 1 |
| 17157006 | 10.1016/j.bmcl.2006.11.024 | Sterol O-acyltransferase 2 | 1 |
Data from ChEMBL 36 via Core Engine