Compound Detail
CHEMBL570475
KUWANON J Enter ChEMBL ID:
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CC(C)=CCc1c(O)cc(C(=O)[C@H]2[C@@H](c3c(O)ccc(C(=O)/C=C/c4ccc(O)cc4O)c3O)C=C(C)C[C@@H]2c2ccc(O)cc2O)cc1O
Basic Information
| ChEMBL ID | CHEMBL570475 |
| Name | KUWANON J |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BDUDECZOBBDZCJ-CQZGAYFHSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
678.7
MW (Da)
7.45
ALogP
10
HBA
8
HBD
196.0
PSA (Ų)
0.05
QED
3
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
| Hep 3B2 CHEMBL4296437 | IC50 | 5.5 | 5.5 | 3140.0 | 1 |
| Hypoxia-inducible factor 1-alpha CHEMBL4261 | IC50 | 5.39 | 5.39 | 4100.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.39 | 5.39 | 4100.0 | 1 |
| Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha CHEMBL2221345 | IC50 | 5.07 | 5.07 | 8550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 2700.0 | nM | 5.57 | Inhibition of human recombinant PTP1B | 19846295 |
| Hep 3B2 | IC50 | = | 3140.0 | nM | 5.5 | Inhibition of hypoxia-induced VEGF protein secretion in human Hep3B cells after ... | 19072214 |
| Hypoxia-inducible factor 1-alpha | IC50 | = | 4100.0 | nM | 5.39 | Inhibition of hypoxia-induced HIF1alpha protein accumulation in human Hep3B cell... | 19072214 |
| Unchecked | IC50 | = | 4100.0 | nM | 5.39 | Inhibition of cobalt chloride-induced HIF-1 activation expressed in mouse NIH3T3... | 21112783 |
| Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha | IC50 | = | 8550.0 | nM | 5.07 | Inhibition of hypoxia-induced HIF1 activation in human Hep3B cells by pGL3-HRE-l... | 19072214 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19846295 | 10.1016/j.bmcl.2009.09.102 | Tyrosine-protein phosphatase non-receptor type 1 | 3 |
| 19072214 | 10.1021/np800491u | Hep 3B2 | 1 |
| 19072214 | 10.1021/np800491u | Hypoxia-inducible factor 1-alpha | 1 |
| 19072214 | 10.1021/np800491u | Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha | 1 |
| 19072214 | 10.1021/np800491u | ADMET | 1 |
| 21112783 | 10.1016/j.bmcl.2010.10.063 | Unchecked | 1 |
| 21737271 | 10.1016/j.bmcl.2011.06.020 | 3T3-L1 | 1 |
Data from ChEMBL 36 via Core Engine