Compound Detail
CHEMBL2335533
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Basic Information
| ChEMBL ID | CHEMBL2335533 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LCKZKKVDONIRPE-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
246.3
MW (Da)
3.48
ALogP
3
HBA
0
HBD
34.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.4
IC50 1 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sterol O-acyltransferase 1 CHEMBL2782 | IC50 | 5.1 | 5.1 | 7870.0 | 1 |
| Protein S100-A4 CHEMBL2362976 | EC50 | 4.4 | 4.4 | 40000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sterol O-acyltransferase 1 | IC50 | = | 7870.0 | nM | 5.1 | Inhibition of human macrophage ACAT expressed in human HepG2 cells using [14C]ol... | 23419736 |
| Protein S100-A4 | EC50 | = | 40000.0 | nM | 4.4 | Binding affinity to S100A4 (unknown origin) assessed as inhibition of S100A4/myo... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23419736 | 10.1016/j.ejmech.2013.01.020 | Sterol O-acyltransferase 1 | 1 |
Data from ChEMBL 36 via Core Engine