Compound Detail
CHEMBL1770312
KUWANON A Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1770312 |
| Name | KUWANON A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBUNRZUFILGKHP-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
420.5
MW (Da)
5.27
ALogP
6
HBA
3
HBD
100.1
PSA (Ų)
0.50
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.28
Ki 1 meas. best 4.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-secretase 1 CHEMBL4822 | IC50 | 5.28 | 5.28 | 5300.0 | 1 |
| Beta-secretase 1 CHEMBL4822 | Ki | 4.97 | 4.97 | 10600.0 | 1 |
| SARS-CoV-2 CHEMBL4303835 | IC50 | 4.45 | 4.45 | 35600.0 | 1 |
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 4.45 | 4.45 | 35200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-secretase 1 | IC50 | = | 5300.0 | nM | 5.28 | Inhibition of human recombinant BACE-1 expressed in HEK293 cells assessed as inh... | 21511472 |
| Beta-secretase 1 | Ki | = | 10600.0 | nM | 4.97 | Noncompetitive inhibition of human recombinant BACE-1 by Dixon plot analysis | 21511472 |
| Replicase polyprotein 1ab | IC50 | = | 35200.0 | nM | 4.45 | Inhibition of 6his/TEV-fused GST tagged SARS-CoV-2 MPro (1 to 306 residues) expr... | 36651644 |
| SARS-CoV-2 | IC50 | = | 35600.0 | nM | 4.45 | Antiviral activity against SARS-CoV-2 FFM7/MT358643 infected in human Calu-3 cel... | 36651644 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36651644 | 10.1021/acs.jnatprod.2c00843 | Replicase polyprotein 1ab | 3 |
| 37499116 | 10.1021/acs.jnatprod.3c00466 | Staphylococcus aureus | 3 |
| 21511472 | 10.1016/j.bmcl.2011.03.060 | Beta-secretase 1 | 2 |
| 36651644 | 10.1021/acs.jnatprod.2c00843 | SARS-CoV-2 | 1 |
| 36651644 | 10.1021/acs.jnatprod.2c00843 | Calu-3 | 1 |
| 37499116 | 10.1021/acs.jnatprod.3c00466 | Staphylococcus epidermidis | 1 |
| 37499116 | 10.1021/acs.jnatprod.3c00466 | Enterococcus faecalis | 1 |
| 37499116 | 10.1021/acs.jnatprod.3c00466 | Bacillus subtilis | 1 |
| 38640870 | 10.1016/j.ejmech.2024.116401 | Staphylococcus aureus | 1 |
| 38640870 | 10.1016/j.ejmech.2024.116401 | Enterococcus faecalis | 1 |
Data from ChEMBL 36 via Core Engine