Compound Detail
CHEMBL4242551
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Basic Information
| ChEMBL ID | CHEMBL4242551 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YGOFGCMLLBWLSV-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
481.7
MW (Da)
7.43
ALogP
5
HBA
1
HBD
58.4
PSA (Ų)
0.22
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.02 | 6.955 | 96.0 | 4 |
| Sterol O-acyltransferase 1 CHEMBL2782 | IC50 | 5.25 | 5.25 | 5600.0 | 1 |
| Sterol O-acyltransferase 1 CHEMBL4464 | IC50 | 5.25 | 5.25 | 5600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 96.0 | nM | 7.02 | Inhibition of SOAT1 in arterial homogenates isolated from 1% cholesterol fed New... | 29945757 |
| Unchecked | IC50 | = | 96.0 | nM | 7.02 | Inhibition of ACAT in arterial homogenates isolated from 1% cholesterol fed New ... | 30433781 |
| Unchecked | IC50 | = | 130.0 | nM | 6.89 | Inhibition of SOAT2 in New Zealand white rabbit intestinal microsomes assessed a... | 29945757 |
| Unchecked | IC50 | = | 130.0 | nM | 6.89 | Inhibition of ACAT in New Zealand White rabbit intestinal microsomes assessed as... | 30433781 |
| Sterol O-acyltransferase 1 | IC50 | = | 5600.0 | nM | 5.25 | Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified chol... | 29945757 |
| Sterol O-acyltransferase 1 | IC50 | = | 5600.0 | nM | 5.25 | Inhibition of ACAT in human J774A.1 cells assessed as reduction in esterified-ch... | 30433781 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29945757 | 10.1016/j.bmc.2018.06.024 | Unchecked | 3 |
| 30433781 | 10.1021/acs.jmedchem.8b01256 | Unchecked | 2 |
| 29945757 | 10.1016/j.bmc.2018.06.024 | Sterol O-acyltransferase 1 | 1 |
| 30433781 | 10.1021/acs.jmedchem.8b01256 | No relevant target | 1 |
| 30433781 | 10.1021/acs.jmedchem.8b01256 | Sterol O-acyltransferase 1 | 1 |
Data from ChEMBL 36 via Core Engine