Compound Detail
CHEMBL3342634
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O[C@@H]1[C@@H](O)C2(Oc3cccc4cccc(c34)O2)[C@@]23O[C@@]2([C@@H](O)C=C[C@H]3O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL3342634 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PKEIHANGEAWICI-XJOGIRLRSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
386.4
MW (Da)
-0.80
ALogP
8
HBA
5
HBD
132.1
PSA (Ų)
0.29
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25237727 | 10.1021/np400988a | NON-PROTEIN TARGET | 3 |
| 25237727 | 10.1021/np400988a | Bacillus subtilis | 1 |
| 25237727 | 10.1021/np400988a | Agrobacterium tumefaciens | 1 |
| 25237727 | 10.1021/np400988a | Staphylococcus haemolyticus | 1 |
| 25237727 | 10.1021/np400988a | Ralstonia solanacearum | 1 |
| 25237727 | 10.1021/np400988a | Pseudomonas | 1 |
| 25237727 | 10.1021/np400988a | Xanthomonas vesicatoria | 1 |
| 25237727 | 10.1021/np400988a | Pyricularia oryzae | 1 |
| 25237727 | 10.1021/np400988a | A549 | 1 |
| 25237727 | 10.1021/np400988a | A2780 | 1 |
Data from ChEMBL 36 via Core Engine