Compound Detail
CHEMBL4174527
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C=C1[C@H](OC(C)=O)[C@@H](O)[C@@H](OC(C)=O)C(C)(C)/C=C/[C@@H](C)C(=O)[C@@]2(OC(C)=O)C[C@@](C)(OC(C)=O)[C@H](OC(C)=O)[C@@H]2[C@H]1OC(C)=O
Basic Information
| ChEMBL ID | CHEMBL4174527 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UFLYYPBSJUQZFA-YHZWSDRVSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
652.7
MW (Da)
2.08
ALogP
14
HBA
1
HBD
195.1
PSA (Ų)
0.25
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28925702 | 10.1021/acs.jnatprod.7b00113 | Human immunodeficiency virus | 1 |
| 28925702 | 10.1021/acs.jnatprod.7b00113 | MT2 | 1 |
| 28925702 | 10.1021/acs.jnatprod.7b00113 | Chikungunya virus | 1 |
| 28925702 | 10.1021/acs.jnatprod.7b00113 | Vero | 1 |
Data from ChEMBL 36 via Core Engine