Compound Detail
CHEMBL2334539
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC(=O)OC[C@@]1(C)[C@@H]2C[C@H](OC(=O)c3ccc(C#N)cc3)[C@@]3(C)Oc4cc(-c5cccnc5)oc(=O)c4[C@H](O)[C@@H]3[C@@]2(C)CC[C@@H]1OC(C)=O
Basic Information
| ChEMBL ID | CHEMBL2334539 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HBSJDWOXHMSOQS-ZRPSWOMSSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
670.7
MW (Da)
4.92
ALogP
12
HBA
1
HBD
175.2
PSA (Ų)
0.28
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sterol O-acyltransferase 2 CHEMBL4465 | IC50 | 9.05 | 9.05 | 0.9 | 3 |
| Sterol O-acyltransferase 1 CHEMBL2782 | IC50 | 5.38 | 5.38 | 4160.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sterol O-acyltransferase 2 | IC50 | = | 0.9 | nM | 9.05 | Inhibition of ACAT2 (unknown origin) expressed in CHO cells | 23369538 |
| Sterol O-acyltransferase 2 | IC50 | = | 0.9 | nM | 9.05 | Inhibition of ACAT2 (unknown origin) | 23711919 |
| Sterol O-acyltransferase 2 | IC50 | = | 0.9 | nM | 9.05 | Inhibition of SOAT2 (unknown origin) expressed in CHO cells using [14C]oleic aci... | 36473091 |
| Sterol O-acyltransferase 1 | IC50 | = | 4160.0 | nM | 5.38 | Inhibition of ACAT1 (unknown origin) expressed in CHO cells | 23369538 |
| Sterol O-acyltransferase 1 | IC50 | = | 4160.0 | nM | 5.38 | Inhibition of ACAT1 (unknown origin) | 23711919 |
| Sterol O-acyltransferase 1 | IC50 | = | 4160.0 | nM | 5.38 | Inhibition of SOAT1 (unknown origin) expressed in CHO cells using [14C]oleic aci... | 36473091 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23369538 | 10.1016/j.bmcl.2012.12.099 | Unchecked | 1 |
| 23369538 | 10.1016/j.bmcl.2012.12.099 | Sterol O-acyltransferase 2 | 1 |
| 23369538 | 10.1016/j.bmcl.2012.12.099 | Sterol O-acyltransferase 1 | 1 |
| 23711919 | 10.1016/j.bmcl.2013.04.075 | Unchecked | 1 |
| 23711919 | 10.1016/j.bmcl.2013.04.075 | Sterol O-acyltransferase 2 | 1 |
| 23711919 | 10.1016/j.bmcl.2013.04.075 | Sterol O-acyltransferase 1 | 1 |
| 36473091 | 10.1021/acs.jmedchem.2c01265 | Unchecked | 1 |
| 36473091 | 10.1021/acs.jmedchem.2c01265 | Sterol O-acyltransferase 1 | 1 |
| 36473091 | 10.1021/acs.jmedchem.2c01265 | Sterol O-acyltransferase 2 | 1 |
Data from ChEMBL 36 via Core Engine