Compound Detail
CHEMBL2289445
MALLOREPANIN Enter ChEMBL ID:
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O=C(Oc1c(O)cc2c(c1O)-c1c(cc(O)c(O)c1O)C(=O)OC[C@H]1O[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](O)[C@@H](OC2=O)[C@@H]1O)c1cc(O)c(O)c(O)c1
Basic Information
| ChEMBL ID | CHEMBL2289445 |
| Name | MALLOREPANIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QLLMARJXKLXEEY-LXPSXXTQSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
786.6
MW (Da)
0.33
ALogP
22
HBA
13
HBD
377.4
PSA (Ų)
0.06
QED
3
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15652581 | 10.1016/j.phytochem.2004.11.016 | Unchecked | 1 |
| 15652581 | 10.1016/j.phytochem.2004.11.016 | Candida albicans | 1 |
| 15652581 | 10.1016/j.phytochem.2004.11.016 | Corynebacterium accolens | 1 |
| 15652581 | 10.1016/j.phytochem.2004.11.016 | Staphylococcus aureus | 1 |
| 15652581 | 10.1016/j.phytochem.2004.11.016 | Pectobacterium carotovorum | 1 |
Data from ChEMBL 36 via Core Engine