Compound Detail
CHEMBL80398
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CCCCCCCCCCCCn1nnc(C(C(=O)Nc2c(OC)cc(OC)cc2OC)c2ccc(-c3ccccc3)cc2)n1
Basic Information
| ChEMBL ID | CHEMBL80398 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PLKISPZAORQQIW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
613.8
MW (Da)
8.06
ALogP
8
HBA
1
HBD
100.4
PSA (Ų)
0.11
QED
2
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sterol O-acyltransferase 1 CHEMBL285 | IC50 | 6.66 | 6.66 | 221.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sterol O-acyltransferase 1 | IC50 | = | 221.0 | nM | 6.66 | In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase... | 8691430 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8691430 | 10.1021/jm960170f | Sterol O-acyltransferase 1 | 2 |
| 8691430 | 10.1021/jm960170f | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine