Compound Detail
CHEMBL2170821
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Basic Information
| ChEMBL ID | CHEMBL2170821 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VOSGBTIUAVXGTR-WWIHDFJWSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
395.5
MW (Da)
3.81
ALogP
5
HBA
2
HBD
71.7
PSA (Ų)
0.78
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.0
IC50 1 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 7.0 | 7.0 | 101.0 | 1 |
| Sterol O-acyltransferase 1 CHEMBL2782 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 101.0 | nM | 7.0 | Neuroprotective activity in tetracycline-stimulated human MC65 cells assessed as... | 23025824 |
| Sterol O-acyltransferase 1 | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of ACAT activity in human MC65 cells using NBD-cholesterol staining a... | 23025824 |
| Unchecked | EC50 | = | 2500.0 | nM | 5.6 | Induction of ABCA1 mRNA expression in human MC65 cells after 24 hrs | 23025824 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23025824 | 10.1021/jm3012189 | ADMET | 3 |
| 23025824 | 10.1021/jm3012189 | Sterol O-acyltransferase 1 | 2 |
| 23025824 | 10.1021/jm3012189 | NON-PROTEIN TARGET | 1 |
| 23025824 | 10.1021/jm3012189 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine