Compound Detail
CHEMBL504052
PHYSALIN Z Enter ChEMBL ID:
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C[C@]12C(=O)C[C@@H](O)C=C1C=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@@]32[C@H]5C6=O)C(=O)O4
Basic Information
| ChEMBL ID | CHEMBL504052 |
| Name | PHYSALIN Z |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JMNMXSXLYDOMTI-INTHQURXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
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 1 meas. best 4.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 4.12 | 4.12 | 75720.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 75720.0 | nM | 4.12 | Inhibition of LPS-induced nitric oxide production in mouse RAW264.7 cells assess... | 18348534 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18348534 | 10.1021/np700713r | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine