Compound Detail
CHEMBL295251
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CCCCCCCN(CCCCCSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)Nc1ccc(F)cc1F
Basic Information
| ChEMBL ID | CHEMBL295251 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HVSPDDMQOSPCCO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
603.8
MW (Da)
9.25
ALogP
5
HBA
1
HBD
71.0
PSA (Ų)
0.10
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sterol O-acyltransferase 1 CHEMBL285 | IC50 | 6.36 | 6.36 | 440.0 | 1 |
| Sterol O-acyltransferase 1 CHEMBL4464 | IC50 | 4.97 | 4.97 | 10600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sterol O-acyltransferase 1 | IC50 | = | 440.0 | nM | 6.36 | In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in rat... | - |
| Sterol O-acyltransferase 1 | IC50 | = | 10600.0 | nM | 4.97 | Inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in J774 Macroph... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00001-A | Sterol O-acyltransferase 1 | 2 |
| - | 10.1016/0960-894X(95)00001-A | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine