Compound Detail
CHEMBL4283167
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CC(C)c1cc(C(C)C)c(NC(=O)CN2CCN(CCSc3nc4ccccc4o3)CC2)c(C(C)C)c1
Basic Information
| ChEMBL ID | CHEMBL4283167 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZFGYZFKCUULDEM-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
522.8
MW (Da)
6.55
ALogP
6
HBA
1
HBD
61.6
PSA (Ų)
0.30
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.47 | 7.02 | 34.0 | 2 |
| Sterol O-acyltransferase 1 CHEMBL2782 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 34.0 | nM | 7.47 | Inhibition of ACAT in arterial homogenates isolated from 1% cholesterol fed New ... | 30433781 |
| Sterol O-acyltransferase 1 | IC50 | = | 250.0 | nM | 6.6 | Inhibition of ACAT in human J774A.1 cells assessed as reduction in esterified-ch... | 30433781 |
| Unchecked | IC50 | = | 270.0 | nM | 6.57 | Inhibition of ACAT in New Zealand White rabbit intestinal microsomes assessed as... | 30433781 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30433781 | 10.1021/acs.jmedchem.8b01256 | Unchecked | 3 |
| 30433781 | 10.1021/acs.jmedchem.8b01256 | Sterol O-acyltransferase 1 | 1 |
Data from ChEMBL 36 via Core Engine