Compound Detail
CHEMBL102026
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Basic Information
| ChEMBL ID | CHEMBL102026 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NFBCWKGHSOJOFD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
429.7
MW (Da)
8.53
ALogP
2
HBA
1
HBD
46.2
PSA (Ų)
0.20
QED
1
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Acyl-CoA:cholesterol acyltransferase CHEMBL6141 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acyl-CoA:cholesterol acyltransferase | IC50 | = | 6.0 | nM | 8.22 | In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in intestinal... | 8411011 |
| Unchecked | IC50 | = | 6.0 | nM | 8.22 | Inhibition of small intimal microsomal fraction of cholesterol-fed rabbit ACAT u... | 36473091 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8411011 | 10.1021/jm00072a014 | Rattus norvegicus | 2 |
| 8411011 | 10.1021/jm00072a014 | Acyl-CoA:cholesterol acyltransferase | 1 |
| 8411011 | 10.1021/jm00072a014 | No relevant target | 1 |
| 36473091 | 10.1021/acs.jmedchem.2c01265 | Unchecked | 1 |
| 36473091 | 10.1021/acs.jmedchem.2c01265 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine