Compound Detail
CHEMBL3959948
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
Basic Information
| ChEMBL ID | CHEMBL3959948 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PVYMEAANGXOWGU-FVHXMZMJSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
364.4
MW (Da)
4.39
ALogP
4
HBA
1
HBD
59.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sterol O-acyltransferase 2 CHEMBL3879854 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Sterol O-acyltransferase 1 CHEMBL3879850 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sterol O-acyltransferase 2 | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of African green monkey SOAT2 expressed in CHO cells assessed as redu... | 27876317 |
| Sterol O-acyltransferase 1 | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of African green monkey SOAT1 expressed in CHO cells assessed as redu... | 27876317 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27876317 | 10.1016/j.bmcl.2016.11.008 | Sterol O-acyltransferase 2 | 2 |
| 27876317 | 10.1016/j.bmcl.2016.11.008 | Sterol O-acyltransferase 1 | 2 |
| 27876317 | 10.1016/j.bmcl.2016.11.008 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine