Compound Detail
CHEMBL453506
PRUNOSE II Enter ChEMBL ID:
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CC(=O)OC[C@H]1O[C@H](CO[C@]2(COC(C)=O)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@H](O)[C@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
Basic Information
| ChEMBL ID | CHEMBL453506 |
| Name | PRUNOSE II |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KWQIIMNNVXVFMQ-DCILAAIQSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
670.6
MW (Da)
-1.10
ALogP
17
HBA
4
HBD
240.1
PSA (Ų)
0.11
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12193020 | 10.1021/np020058m | Aldo-keto reductase family 1 member B1 | 3 |
| 12193020 | 10.1021/np020058m | Platelet | 2 |
Data from ChEMBL 36 via Core Engine