Compound Detail
CHEMBL312422
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CSc1cc(C)nc(SC)c1NC(=O)N(Cc1ccc(N(C)C)cc1)Cc1cccc(-c2cc[nH]n2)c1
Basic Information
| ChEMBL ID | CHEMBL312422 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UHAGKVLCYZOHCZ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
532.7
MW (Da)
6.52
ALogP
6
HBA
2
HBD
77.2
PSA (Ų)
0.24
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acyl-CoA:cholesterol acyltransferase CHEMBL6141 | IC50 | 7.14 | 7.14 | 72.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acyl-CoA:cholesterol acyltransferase | IC50 | = | 72.0 | nM | 7.14 | In vitro inhibitory activity towards ACAT by the displacement of [1-14C]oleolyl-... | 9871633 |
| Acyl-CoA:cholesterol acyltransferase | IC50 | = | 72.0 | nM | 7.14 | In vitro inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase... | 9632372 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871633 | 10.1016/s0960-894x(97)10191-3 | Rattus norvegicus | 3 |
| 9871633 | 10.1016/s0960-894x(97)10191-3 | Acyl-CoA:cholesterol acyltransferase | 1 |
| 9632372 | 10.1021/jm9800853 | Acyl-CoA:cholesterol acyltransferase | 1 |
| 9632372 | 10.1021/jm9800853 | Sterol O-acyltransferase, Soat | 1 |
| 9632372 | 10.1021/jm9800853 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine