Compound Detail
CHEMBL550161
7-O-ACETYLPSEURATA C Enter ChEMBL ID:
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C=C1C(=O)[C@]23[C@H](O)[C@H]1C(=O)C[C@H]2[C@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]1C[C@H]3OC(C)=O
Basic Information
| ChEMBL ID | CHEMBL550161 |
| Name | 7-O-ACETYLPSEURATA C |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZJTQVLHYMFFVCC-DCMYVXTHSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
432.5
MW (Da)
2.39
ALogP
7
HBA
1
HBD
107.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19425589 | 10.1021/np9000366 | NB-4 | 1 |
| 19425589 | 10.1021/np9000366 | A549 | 1 |
| 19425589 | 10.1021/np9000366 | SH-SY5Y | 1 |
| 19425589 | 10.1021/np9000366 | PC-3 | 1 |
| 19425589 | 10.1021/np9000366 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine