Compound Detail
CHEMBL5284134
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Basic Information
| ChEMBL ID | CHEMBL5284134 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYPXPFQWFRXFCA-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
382.5
MW (Da)
4.69
ALogP
5
HBA
3
HBD
94.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sterol O-acyltransferase 2 CHEMBL4465 | IC50 | 7.21 | 7.21 | 62.0 | 1 |
| Sterol O-acyltransferase 2 CHEMBL3879854 | IC50 | 6.04 | 6.04 | 910.0 | 1 |
| Sterol O-acyltransferase 1 CHEMBL2782 | IC50 | 5.28 | 5.28 | 5200.0 | 1 |
| Sterol O-acyltransferase 1 CHEMBL3879850 | IC50 | 5.0 | 5.0 | 9900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sterol O-acyltransferase 2 | IC50 | = | 62.0 | nM | 7.21 | Inhibition of human SOAT2 expressed in mouse AC29 cells | 36473091 |
| Sterol O-acyltransferase 2 | IC50 | = | 910.0 | nM | 6.04 | Inhibition of african green monkey SAOT2 in CHO cells assessed as reduction chol... | 36473091 |
| Sterol O-acyltransferase 1 | IC50 | = | 5200.0 | nM | 5.28 | Inhibition of human SOAT1 expressed in mouse AC29 cells | 36473091 |
| Sterol O-acyltransferase 1 | IC50 | = | 9900.0 | nM | 5.0 | Inhibition of african green monkey SOAT1 expressed in CHO cells assessed as redu... | 36473091 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36473091 | 10.1021/acs.jmedchem.2c01265 | Sterol O-acyltransferase 1 | 2 |
| 36473091 | 10.1021/acs.jmedchem.2c01265 | Sterol O-acyltransferase 2 | 2 |
| 36473091 | 10.1021/acs.jmedchem.2c01265 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine