Compound Detail
CHEMBL249002
SAPPANONE A Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL249002 |
| Name | SAPPANONE A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KVYZXXBTJHJISR-BJMVGYQFSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
284.3
MW (Da)
2.46
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 5.24 | 5.1167 | 5700.0 | 3 |
| Brain CHEMBL613617 | IC50 | 4.84 | 4.84 | 14330.0 | 1 |
| Radical scavenging activity CHEMBL613712 | IC50 | 4.46 | 4.46 | 35000.0 | 1 |
| No relevant target CHEMBL2362975 | IC50 | 4.01 | 4.01 | 96580.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 5700.0 | nM | 5.24 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 23234407 |
| RAW264.7 | IC50 | = | 8300.0 | nM | 5.08 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 23234407 |
| RAW264.7 | IC50 | = | 9300.0 | nM | 5.03 | Inhibition of LPS-induced NO production in mouse RAW264.7 cells preincubated for... | 28038832 |
| Brain | IC50 | = | 14330.0 | nM | 4.84 | Antioxidant activity in Wistar rat brain assessed as inhibition of lipid peroxid... | 17967537 |
| Radical scavenging activity | IC50 | = | 35000.0 | nM | 4.46 | Antioxidant activity assessed as DPPH free radical scavenging activity | 17967537 |
| No relevant target | IC50 | = | 96580.0 | nM | 4.01 | Antioxidant activity assessed as nitric oxide free radical scavenging activity b... | 23234407 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23234407 | 10.1021/np3003673 | RAW264.7 | 9 |
| 17967537 | 10.1016/j.bmcl.2007.10.034 | Radical scavenging activity | 1 |
| 17967537 | 10.1016/j.bmcl.2007.10.034 | Brain | 1 |
| 17967537 | 10.1016/j.bmcl.2007.10.034 | NON-PROTEIN TARGET | 1 |
| 18610999 | 10.1021/jm701501x | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 18610999 | 10.1021/jm701501x | Vascular endothelial growth factor receptor 2 | 1 |
| 18610999 | 10.1021/jm701501x | Mast/stem cell growth factor receptor Kit | 1 |
| 18610999 | 10.1021/jm701501x | Epidermal growth factor receptor | 1 |
| 18610999 | 10.1021/jm701501x | Fibroblast growth factor receptor 1 | 1 |
| 18610999 | 10.1021/jm701501x | Fibroblast growth factor receptor 2 | 1 |
| 18610999 | 10.1021/jm701501x | Hepatocyte growth factor receptor | 1 |
| 23234407 | 10.1021/np3003673 | No relevant target | 1 |
| 28038832 | 10.1016/j.bmcl.2016.12.028 | RAW264.7 | 1 |
| 37150057 | 10.1016/j.ejmech.2023.115374 | Phosphodiesterase 4 | 1 |
| 37150057 | 10.1016/j.ejmech.2023.115374 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine