Compound Detail
CHEMBL444942
KUMANON G Enter ChEMBL ID:
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CC(C)=CCc1c(-c2ccc(O)cc2O)oc2c([C@H]3C=C(C)C[C@@H](c4ccc(O)cc4O)[C@@H]3C(=O)c3ccc(O)cc3O)c(O)cc(O)c2c1=O
Basic Information
| ChEMBL ID | CHEMBL444942 |
| Name | KUMANON G |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | APPXYONGBIXGRO-AIQWNVMPSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
692.7
MW (Da)
7.33
ALogP
11
HBA
8
HBD
209.1
PSA (Ų)
0.06
QED
4
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.01 | 6.01 | 980.0 | 1 |
| Beta-glucuronidase CHEMBL3217380 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| Beta-glucuronidase CHEMBL2728 | IC50 | 5.13 | 5.13 | 7400.0 | 1 |
| Platelet CHEMBL4296519 | IC50 | 4.05 | 4.05 | 89300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 980.0 | nM | 6.01 | Inhibition of Staphylococcus pasteuri beta-glucuronidase | 31835168 |
| Beta-glucuronidase | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of Escherichia coli beta-glucuronidase | 31835168 |
| Beta-glucuronidase | IC50 | = | 7400.0 | nM | 5.13 | Inhibition of whole human gut bacterial beta-glucuronidase | 31835168 |
| Platelet | IC50 | = | 89300.0 | nM | 4.05 | Inhibition of 12-hydroxy-5,8,10-heptadecatrienoic acid formation in Wistar King ... | 3097265 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3097265 | 10.1021/np50046a013 | Platelet | 5 |
| 31835168 | 10.1016/j.ejmech.2019.111921 | Beta-glucuronidase | 3 |
| 31835168 | 10.1016/j.ejmech.2019.111921 | Unchecked | 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