Compound Detail
CHEMBL4741288
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CCCCCCCC(=O)O[C@@]12[C@H](OC(=O)c3ccccc3)[C@@H](C)[C@@]3(O)C(=C[C@](O)(CO)C[C@]4(O)C(=O)C(C)=C[C@@H]34)[C@@H]1C2(C)C
Basic Information
| ChEMBL ID | CHEMBL4741288 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZXDQDKMZRZAECO-FVCLZUETSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
610.7
MW (Da)
3.82
ALogP
9
HBA
4
HBD
150.6
PSA (Ų)
0.18
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33172265 | 10.1021/acs.jnatprod.0c00700 | Human immunodeficiency virus 1 | 1 |
| 33172265 | 10.1021/acs.jnatprod.0c00700 | MT4 | 1 |
| 34445872 | 10.1021/acs.jnatprod.1c00570 | Human immunodeficiency virus 1 | 1 |
| 34445872 | 10.1021/acs.jnatprod.1c00570 | MT4 | 1 |
Data from ChEMBL 36 via Core Engine