Compound Detail
CHEMBL5172662
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COc1cc(C)c(C(=O)O[C@H]2[C@@H](O)[C@@H](O)[C@H](O[C@H]3CC[C@H](C)[C@@H]4[C@@H]3C=C(C)[C@H]3/C(C)=C/CC/C(C)=C/[C@]5(C)C=C(C(=O)O)[C@H](C)C[C@]56OC(=O)C(=C6O)C(=O)[C@@]43C)O[C@@H]2C)c(O)c1
Basic Information
| ChEMBL ID | CHEMBL5172662 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FBBPNUSBCOHVCU-MGLSNRCPSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
875.0
MW (Da)
6.75
ALogP
13
HBA
5
HBD
215.6
PSA (Ų)
0.11
QED
3
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35640100 | 10.1021/acs.jnatprod.2c00444 | Staphylococcus aureus | 3 |
| 35640100 | 10.1021/acs.jnatprod.2c00444 | NCI-H460 | 1 |
| 35640100 | 10.1021/acs.jnatprod.2c00444 | SW-620 | 1 |
| 35640100 | 10.1021/acs.jnatprod.2c00444 | Candida albicans | 1 |
| 35640100 | 10.1021/acs.jnatprod.2c00444 | Escherichia coli | 1 |
| 35640100 | 10.1021/acs.jnatprod.2c00444 | Mycobacterium tuberculosis variant bovis | 1 |
| 35640100 | 10.1021/acs.jnatprod.2c00444 | Mycobacterium tuberculosis | 1 |
| 35640100 | 10.1021/acs.jnatprod.2c00444 | Enterococcus faecalis | 1 |
| 35640100 | 10.1021/acs.jnatprod.2c00444 | Enterococcus faecium | 1 |
Data from ChEMBL 36 via Core Engine