Compound Detail
CHEMBL3899908
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CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)C(Cc1ccccc1)Cc1ccc(OC(=O)CCCCCCN2CCCCCC2=O)cc1
Basic Information
| ChEMBL ID | CHEMBL3899908 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YXOPOKKYMJEBRR-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
680.9
MW (Da)
9.19
ALogP
5
HBA
1
HBD
92.8
PSA (Ų)
0.06
QED
2
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sterol O-acyltransferase 1 CHEMBL2782 | IC50 | 8.44 | 8.44 | 3.6 | 1 |
| Sterol O-acyltransferase 1 CHEMBL3879850 | IC50 | 8.44 | 8.44 | 3.6 | 1 |
| Sterol O-acyltransferase 2 CHEMBL3879854 | IC50 | 6.28 | 6.28 | 530.0 | 1 |
| Sterol O-acyltransferase 2 CHEMBL4465 | IC50 | 6.28 | 6.28 | 530.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sterol O-acyltransferase 1 | IC50 | = | 3.6 | nM | 8.44 | Inhibition of African green monkey ACAT1 expressed in mouse AC29 cells assessed ... | - |
| Sterol O-acyltransferase 1 | IC50 | = | 3.6 | nM | 8.44 | Inhibition Assay: Methods for assessing the selectively of ACAT1 inhibitors are ... | - |
| Sterol O-acyltransferase 2 | IC50 | = | 530.0 | nM | 6.28 | Inhibition of African green monkey ACAT2 expressed in mouse AC29 cells assessed ... | - |
| Sterol O-acyltransferase 2 | IC50 | = | 530.0 | nM | 6.28 | Inhibition Assay: Methods for assessing the selectively of ACAT1 inhibitors are ... | - |
Data from ChEMBL 36 via Core Engine