Compound Detail
CHEMBL475880
SCHISANTHERIN D Enter ChEMBL ID:
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COc1c2c(cc3c1-c1c(cc4c(c1OC)OCO4)[C@H](OC(=O)c1ccccc1)[C@@](C)(O)[C@@H](C)C3)OCO2
Basic Information
| ChEMBL ID | CHEMBL475880 |
| Name | SCHISANTHERIN D |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PGEJVRVFUGSAJF-SSEZWIOCSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
520.5
MW (Da)
4.67
ALogP
9
HBA
1
HBD
101.9
PSA (Ų)
0.49
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21232955 | 10.1016/j.bmcl.2010.12.055 | ADMET | 2 |
| 8946749 | 10.1021/np9601667 | Human immunodeficiency virus 1 | 1 |
| 8946749 | 10.1021/np9601667 | H9 | 1 |
| 8946749 | 10.1021/np9601667 | ADMET | 1 |
| 14987069 | 10.1021/np030373o | Human immunodeficiency virus | 1 |
| 21232955 | 10.1016/j.bmcl.2010.12.055 | Human immunodeficiency virus 1 | 1 |
| 23265871 | 10.1016/j.bmcl.2012.11.040 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine