Compound Detail
CHEMBL1215434
PHYSALIN F 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]2O[C@]24CC=CC(=O)[C@]14C)C(=O)O[C@@]35C
Basic Information
| ChEMBL ID | CHEMBL1215434 |
| Name | PHYSALIN F |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSLWNSSUMFSGFF-DKOLRWHASA-N |
6
Targets
7
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
526.5
MW (Da)
0.77
ALogP
10
HBA
1
HBD
138.0
PSA (Ų)
0.36
QED
1
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 6.48 | 6.48 | 330.0 | 1 |
| Zinc finger protein GLI1 CHEMBL5461 | IC50 | 6.18 | 6.18 | 660.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.18 | 5.89 | 660.0 | 2 |
| HeLa CHEMBL399 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| NF-kappa-B inhibitor alpha CHEMBL2898 | IC50 | 4.57 | 4.57 | 27100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 330.0 | nM | 6.48 | Inhibition of LPS-induced nitric oxide production in mouse RAW264.7 cells assess... | 18348534 |
| Zinc finger protein GLI1 | IC50 | = | 660.0 | nM | 6.18 | Inhibition of Gli1-mediated transcription expressed in human PANC1 cells | 19309080 |
| Unchecked | IC50 | = | 660.0 | nM | 6.18 | Antagonist activity at hedgehog receptor | 20708941 |
| HeLa | IC50 | = | 2000.0 | nM | 5.7 | Cytotoxicity against human HeLa cells after 72 hrs by MTT assay | 16562828 |
| Plasmodium falciparum | IC50 | = | 2200.0 | nM | 5.66 | Antimalarial activity against chloroquine-resistant and mefloquine-sensitive Pla... | 21954931 |
| Unchecked | IC50 | = | 2530.0 | nM | 5.6 | Inhibition of TNFalpha-induced NF-kappaB activation (unknown origin) expressed i... | 24900739 |
| NF-kappa-B inhibitor alpha | IC50 | = | 27100.0 | nM | 4.57 | Inhibition of TNFalpha-induced IkappaBalpha (unknown origin) phosphorylation exp... | 24900739 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25396337 | 10.1021/np5003093 | Mus musculus | 12 |
| 20681573 | 10.1021/np900691w | Mus musculus | 7 |
| 16562828 | 10.1021/np050225t | Unchecked | 6 |
| 16562828 | 10.1021/np050225t | Jurkat | 6 |
| 16562828 | 10.1021/np050225t | HeLa | 3 |
| 24900739 | 10.1021/ml400144e | NF-kappa-B inhibitor alpha | 2 |
| 24900739 | 10.1021/ml400144e | Unchecked | 2 |
| 21954931 | 10.1021/np200260f | Plasmodium berghei | 2 |
| 17580910 | 10.1021/np0701374 | ZR-75-1 | 1 |
| 19309080 | 10.1021/jm801420y | Zinc finger protein GLI1 | 1 |
| 18348534 | 10.1021/np700713r | RAW264.7 | 1 |
| 18053728 | 10.1016/j.bmc.2007.11.027 | HL-60 | 1 |
| 18053728 | 10.1016/j.bmc.2007.11.027 | CCRF-CEM | 1 |
| 18053728 | 10.1016/j.bmc.2007.11.027 | HCT-8 | 1 |
| 18053728 | 10.1016/j.bmc.2007.11.027 | B16 | 1 |
| 17580910 | 10.1021/np0701374 | HCT-8 | 1 |
| 17580910 | 10.1021/np0701374 | A549 | 1 |
| 17580910 | 10.1021/np0701374 | NON-PROTEIN TARGET | 1 |
| 17580910 | 10.1021/np0701374 | KB | 1 |
| 17580910 | 10.1021/np0701374 | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine