Compound Detail
CHEMBL284596
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COc1ccc(N2CCN(CCCCC3(C)COC(c4nc(-c5ccccc5)c(-c5ccccc5)[nH]4)OC3)CC2)cc1
Basic Information
| ChEMBL ID | CHEMBL284596 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DAPFVKWCKDXQQL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
566.8
MW (Da)
6.80
ALogP
6
HBA
1
HBD
62.9
PSA (Ų)
0.21
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sterol O-acyltransferase 1 CHEMBL2782 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sterol O-acyltransferase 1 | IC50 | = | 10.0 | nM | 8.0 | Inhibitory concentration was evaluated as concentration required to inhibit 50% ... | 8691472 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8691472 | 10.1021/jm9505876 | Sterol O-acyltransferase 1 | 1 |
| 8691472 | 10.1021/jm9505876 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine