Compound Detail
CHEMBL502427
PHYSALIN D Enter ChEMBL ID:
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C[C@@]12C[C@H]3OC(=O)[C@@H]1CO[C@@]14O[C@]5([C@H]2C1=O)[C@@](O)(CC[C@H]1[C@H]4C[C@@H](O)[C@@]2(O)CC=CC(=O)[C@]12C)C(=O)O[C@@]35C
Basic Information
| ChEMBL ID | CHEMBL502427 |
| Name | PHYSALIN D |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DUGJJSWZRHBJJK-IGRMCQLTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
18
Publications
0
Known Names
Molecular Properties
544.5
MW (Da)
-0.28
ALogP
11
HBA
3
HBD
165.9
PSA (Ų)
0.34
QED
2
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 4.26 | 4.26 | 55000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 55000.0 | nM | 4.26 | Antimalarial activity against chloroquine-resistant and mefloquine-sensitive Pla... | 21954931 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25396337 | 10.1021/np5003093 | Mus musculus | 7 |
| 21954931 | 10.1021/np200260f | Plasmodium berghei | 2 |
| 17580910 | 10.1021/np0701374 | PC-3 | 1 |
| 21954931 | 10.1021/np200260f | Unchecked | 1 |
| 21954931 | 10.1021/np200260f | ADMET | 1 |
| 21954931 | 10.1021/np200260f | Plasmodium falciparum | 1 |
| 16562828 | 10.1021/np050225t | HeLa | 1 |
| - | 10.1021/np50125a004 | HeLa | 1 |
| 17580910 | 10.1021/np0701374 | ZR-75-1 | 1 |
| 17580910 | 10.1021/np0701374 | DU-145 | 1 |
| 17580910 | 10.1021/np0701374 | HCT-8 | 1 |
| 17580910 | 10.1021/np0701374 | A549 | 1 |
| 17580910 | 10.1021/np0701374 | A-431 | 1 |
| 17580910 | 10.1021/np0701374 | NON-PROTEIN TARGET | 1 |
| 17580910 | 10.1021/np0701374 | KB | 1 |
| 17580910 | 10.1021/np0701374 | LNCaP | 1 |
| 17580910 | 10.1021/np0701374 | HCT-116 | 1 |
| 17580910 | 10.1021/np0701374 | 1A9 | 1 |
Data from ChEMBL 36 via Core Engine