Compound Detail
CHEMBL449150
BALLOTETROSIDE Enter ChEMBL ID:
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C[C@@H]1OC(O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL449150 |
| Name | BALLOTETROSIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPVUMVVTBDKDDD-TXEQUVPISA-N |
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
888.8
MW (Da)
-4.09
ALogP
23
HBA
13
HBD
363.1
PSA (Ų)
0.05
QED
3
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas.
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16038536 | 10.1021/np049655u | Prostaglandin G/H synthase 1 | 1 |
Data from ChEMBL 36 via Core Engine