Compound Detail
CHEMBL329584
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CC(=O)O[C@H]1CC[C@@]2(C)C(C[C@H](OC(C)=O)[C@@]3(C)Oc4cc(-c5cccnc5)oc(=O)c4[C@H](O)C23)[C@]1(C)COS(=O)(=O)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL329584 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YKQKTEXFBZEMFY-ZDAZUYGVSA-N |
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
681.8
MW (Da)
4.60
ALogP
12
HBA
1
HBD
168.5
PSA (Ų)
0.27
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas.
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