Compound Detail
CHEMBL311537
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CCCC(N)C(=O)O[C@H]1c2c(cc(-c3cccnc3)oc2=O)O[C@@]2(C)C1[C@@]1(C)CC[C@H](OC(C)=O)[C@@](C)(COC(C)=O)C1C[C@@H]2OC(C)=O
Basic Information
| ChEMBL ID | CHEMBL311537 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SWJLMFVDNMRTIY-ZLJXVERTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
682.8
MW (Da)
4.43
ALogP
13
HBA
1
HBD
183.6
PSA (Ų)
0.29
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sterol O-acyltransferase 1 CHEMBL285 | 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 1 | IC50 | = | 16000.0 | nM | 4.8 | Inhibitory activity against acyl-CoA:cholesterol O-acyltransferase (ACAT) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00451-X | Sterol O-acyltransferase 1 | 1 |
Data from ChEMBL 36 via Core Engine