Compound Detail
CHEMBL33054
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CC1(CCCCN2CCc3ccccc3C2)COC(c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)OC1
Basic Information
| ChEMBL ID | CHEMBL33054 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LSAGISHFMIGCGN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
507.7
MW (Da)
7.02
ALogP
4
HBA
1
HBD
50.4
PSA (Ų)
0.26
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sterol O-acyltransferase 1 CHEMBL2782 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sterol O-acyltransferase 1 | IC50 | = | 60.0 | nM | 7.22 | 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