Compound Detail
CHEMBL1096939
KUWANON E Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1096939 |
| Name | KUWANON E |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GJFHZVPRFLHEBR-VIZOYTHASA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
424.5
MW (Da)
5.45
ALogP
6
HBA
4
HBD
107.2
PSA (Ų)
0.46
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.77
Ki 1 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL1914 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
| Acetylcholinesterase CHEMBL220 | Ki | 5.51 | 5.51 | 3100.0 | 1 |
| THP-1 CHEMBL614245 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of BuChE (unknown origin) | - |
| Acetylcholinesterase | Ki | = | 3100.0 | nM | 5.51 | Inhibition of AChE (unknown origin) | - |
| THP-1 | IC50 | = | 4000.0 | nM | 5.4 | Cytotoxicity against human THP1 cells after 24 hrs by WST1 assay | 24901948 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24901948 | 10.1021/np401025f | NON-PROTEIN TARGET | 2 |
| 20192247 | 10.1021/np900681y | MCF7 | 1 |
| 20192247 | 10.1021/np900681y | CCRF-CEM | 1 |
| 20192247 | 10.1021/np900681y | RPMI-8226 | 1 |
| 20192247 | 10.1021/np900681y | U-266 | 1 |
| 20192247 | 10.1021/np900681y | HeLa | 1 |
| 20192247 | 10.1021/np900681y | BJ | 1 |
| 20192247 | 10.1021/np900681y | THP-1 | 1 |
| - | 10.1007/s00044-012-0353-y | Cholinesterase | 1 |
| - | 10.1007/s00044-012-0353-y | Acetylcholinesterase | 1 |
| 24901948 | 10.1021/np401025f | THP-1 | 1 |
Data from ChEMBL 36 via Core Engine