Compound Detail
CHEMBL501438
PHYSALIN I Enter ChEMBL ID:
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CO[C@H]1C=C2C=C[C@@H]3[C@H](CC[C@]4(O)C(=O)O[C@@]5(C)[C@H]6C[C@](C)([C@H](C)C(=O)O6)[C@H]6[C@@]3(O)C(=O)O[C@@]654)[C@@]2(C)C(=O)C1
Basic Information
| ChEMBL ID | CHEMBL501438 |
| Name | PHYSALIN I |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NNFMRPSQYZBXBB-HNYOFVIESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
542.6
MW (Da)
1.16
ALogP
10
HBA
2
HBD
145.7
PSA (Ų)
0.37
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 4.08 | 4.08 | 83960.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 83960.0 | nM | 4.08 | 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