Compound Detail
CHEMBL463248
WITHAPHYSALIN H Enter ChEMBL ID:
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CO[C@@H]1O[C@@](C)([C@H]2CC(C)=C(C)C(=O)O2)[C@H]2CC[C@H]3[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]123
Basic Information
| ChEMBL ID | CHEMBL463248 |
| Name | WITHAPHYSALIN H |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FKDPGSFHKKGFDE-WPJRGGRHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
482.6
MW (Da)
4.27
ALogP
6
HBA
1
HBD
82.1
PSA (Ų)
0.47
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | IC50 | 5.28 | 5.28 | 5210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | IC50 | = | 5210.0 | nM | 5.28 | Growth inhibition of mouse Hepa-1c1c7 cells by crystal violet staining | 12027740 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12027740 | 10.1021/np0106337 | Unchecked | 2 |
| 12027740 | 10.1021/np0106337 | Quinone oxidoreductase | 2 |
| 12027740 | 10.1021/np0106337 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine