Compound Detail
CHEMBL387268
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COC(=O)CCCCCNC[C@@H](C)[C@H]1CC[C@H]2C3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C
Basic Information
| ChEMBL ID | CHEMBL387268 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SZGAPLIRORJXMB-KLKQPUDMSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
501.8
MW (Da)
6.46
ALogP
5
HBA
1
HBD
64.6
PSA (Ų)
0.21
QED
2
Ro5 Violations
10
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