Compound Detail
CHEMBL4101636
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CCCCCCCCCCCCCCCCOC(=O)/C(CCC=C(C)C)=C1\[C@@H](OC(C)=O)C[C@@]2(C)[C@H]1C[C@@H](O)[C@H]1[C@@]3(C)CC[C@@H](O)[C@@H](C)[C@@H]3CC[C@@]12C
Basic Information
| ChEMBL ID | CHEMBL4101636 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZQZJHMWZOWHDNU-HHEMVAEESA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
741.1
MW (Da)
11.61
ALogP
6
HBA
2
HBD
93.1
PSA (Ų)
0.06
QED
2
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28012840 | 10.1016/j.bmcl.2016.11.077 | Plasmodium falciparum | 2 |
| 28012840 | 10.1016/j.bmcl.2016.11.077 | CHO | 1 |
| 28012840 | 10.1016/j.bmcl.2016.11.077 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine