Compound Detail
CHEMBL1835434
PHYSALIN G Enter ChEMBL ID:
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C[C@]12C(=O)C=CC=C1[C@@H](O)C[C@@H]1[C@@H]2CC[C@@]2(O)C(=O)O[C@@]3(C)[C@H]4C[C@]5(C)[C@@H](CO[C@@]16O[C@]23[C@H]5C6=O)C(=O)O4
Basic Information
| ChEMBL ID | CHEMBL1835434 |
| Name | PHYSALIN G |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CGVBSJOSWAZUIF-IOMVKLDJSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
526.5
MW (Da)
0.53
ALogP
10
HBA
2
HBD
145.7
PSA (Ų)
0.43
QED
1
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.17 | 5.17 | 6700.0 | 1 |
| RAW264.7 CHEMBL612557 | IC50 | 4.87 | 4.87 | 13500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 6700.0 | nM | 5.17 | Antimalarial activity against chloroquine-resistant and mefloquine-sensitive Pla... | 21954931 |
| RAW264.7 | IC50 | = | 13500.0 | nM | 4.87 | Antiinflammatory activity in mouse RAW264.7 assessed as inhibition of LPS-stimul... | 35608269 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25396337 | 10.1021/np5003093 | Mus musculus | 9 |
| 35608269 | 10.1021/acs.jnatprod.2c00101 | RAW264.7 | 2 |
| 21954931 | 10.1021/np200260f | Plasmodium falciparum | 1 |
| 21954931 | 10.1021/np200260f | ADMET | 1 |
| 21954931 | 10.1021/np200260f | Unchecked | 1 |
| 35608269 | 10.1021/acs.jnatprod.2c00101 | A549 | 1 |
| 35608269 | 10.1021/acs.jnatprod.2c00101 | HepG2 | 1 |
| 35608269 | 10.1021/acs.jnatprod.2c00101 | MCF7 | 1 |
| 35608269 | 10.1021/acs.jnatprod.2c00101 | SGC-7901 | 1 |
| 35608269 | 10.1021/acs.jnatprod.2c00101 | L02 | 1 |
Data from ChEMBL 36 via Core Engine