Compound Detail
CHEMBL4555843
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COc1nc(C/C=C(\C)C/C=C/C(C)=C/[C@@H](C)[C@@H](O[C@@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)/C(C)=C/CO)c(C)c(O)c1OC
Basic Information
| ChEMBL ID | CHEMBL4555843 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OOBVAHNFGGLUQM-TYQLNRRHSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
755.9
MW (Da)
0.08
ALogP
16
HBA
9
HBD
250.3
PSA (Ų)
0.08
QED
3
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31298537 | 10.1021/acs.jmedchem.9b00598 | ACHN | 2 |
| 31298537 | 10.1021/acs.jmedchem.9b00598 | OS-RC-2 | 1 |
| 31298537 | 10.1021/acs.jmedchem.9b00598 | HK-2 | 1 |
| 31298537 | 10.1021/acs.jmedchem.9b00598 | 786-0 | 1 |
Data from ChEMBL 36 via Core Engine