Compound Detail
CHEMBL4245696
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Basic Information
| ChEMBL ID | CHEMBL4245696 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QOFZSZLSQZRHDD-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
482.6
MW (Da)
7.15
ALogP
6
HBA
1
HBD
81.4
PSA (Ų)
0.18
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.54 | 7.25 | 29.0 | 2 |
| Sterol O-acyltransferase 1 CHEMBL4464 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 29.0 | nM | 7.54 | Inhibition of SOAT1 in arterial homogenates isolated from 1% cholesterol fed New... | 29945757 |
| Unchecked | IC50 | = | 110.0 | nM | 6.96 | Inhibition of SOAT2 in New Zealand white rabbit intestinal microsomes assessed a... | 29945757 |
| Sterol O-acyltransferase 1 | IC50 | = | 500.0 | nM | 6.3 | Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified chol... | 29945757 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29945757 | 10.1016/j.bmc.2018.06.024 | Unchecked | 3 |
| 29945757 | 10.1016/j.bmc.2018.06.024 | Sterol O-acyltransferase 1 | 1 |
Data from ChEMBL 36 via Core Engine