Compound Detail
CHEMBL41330
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 | CHEMBL41330 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AOOJWKDKXYWMGH-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
449.7
MW (Da)
7.91
ALogP
4
HBA
1
HBD
56.8
PSA (Ų)
0.21
QED
1
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.28 | 7.28 | 52.0 | 1 |
| Acyl-CoA:cholesterol acyltransferase CHEMBL6141 | IC50 | 7.28 | 7.28 | 52.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acyl-CoA:cholesterol acyltransferase | IC50 | = | 52.0 | nM | 7.28 | In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase, in intestina... | 1578488 |
| Acyl-CoA:cholesterol acyltransferase | IC50 | = | 52.0 | nM | 7.28 | Acyl coenzyme A:cholesterol acyltransferase (ACAT), inhibition by incubation wit... | 8496932 |
| Unchecked | IC50 | = | 52.0 | nM | 7.28 | Inhibition of Acyl coenzyme A:cholesterol acyltransferase (ACAT) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1578488 | 10.1021/jm00087a016 | Rattus norvegicus | 2 |
| - | 10.1016/0960-894X(95)00026-P | Rattus norvegicus | 2 |
| 1578488 | 10.1021/jm00087a016 | Acyl-CoA:cholesterol acyltransferase | 1 |
| 8496932 | 10.1021/jm00063a016 | Acyl-CoA:cholesterol acyltransferase | 1 |
| 8496932 | 10.1021/jm00063a016 | Sterol O-acyltransferase 1 | 1 |
| - | 10.1016/0960-894X(95)00026-P | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine