Compound Detail
CHEMBL217116
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CC(=O)O[C@H]1CC[C@@]2(C)C(=CCC3[C@@H]4CC[C@H]([C@H](C)C(=O)NCCCC[C@H](NC(=O)OCc5ccccc5)C(=O)OCc5ccccc5)[C@@]4(C)CC[C@@H]32)C1
Basic Information
| ChEMBL ID | CHEMBL217116 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FYSHEZIINDYYPW-HRMYQWRNSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
741.0
MW (Da)
8.46
ALogP
7
HBA
2
HBD
120.0
PSA (Ų)
0.09
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17004723 | 10.1021/jm060290f | Cycloartenol-C-24-methyltransferase | 2 |
| 17004723 | 10.1021/jm060290f | Plasmodium falciparum | 2 |
| 17004723 | 10.1021/jm060290f | Leishmania donovani | 1 |
| 17004723 | 10.1021/jm060290f | Trypanosoma cruzi | 1 |
| 17004723 | 10.1021/jm060290f | Trypanosoma brucei rhodesiense | 1 |
| 17004723 | 10.1021/jm060290f | KB | 1 |
Data from ChEMBL 36 via Core Engine