Compound Detail
CHEMBL272861
TAIWANIAFLAVONE Enter ChEMBL ID:
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O=c1cc(-c2ccc(O)c(-c3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)c2)oc2cc(O)cc(O)c12
Basic Information
| ChEMBL ID | CHEMBL272861 |
| Name | TAIWANIAFLAVONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IMKDLTDRZZSWPR-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
538.5
MW (Da)
5.13
ALogP
10
HBA
6
HBD
181.8
PSA (Ų)
0.18
QED
3
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.27
Ki 1 meas. best 5.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | Ki | 5.35 | 5.35 | 4500.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 5.27 | 5.27 | 5400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 | Ki | = | 4500.0 | nM | 5.35 | Mixed-competitive inhibition of human recombinant PTP1B using p-NPP as substrate... | 25907369 |
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 5400.0 | nM | 5.27 | Inhibition of human recombinant PTP1B using p-NPP as substrate preincubated for ... | 25907369 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18029185 | 10.1016/j.bmc.2007.10.036 | Fibroblast | 6 |
| 25907369 | 10.1016/j.bmc.2015.04.007 | Tyrosine-protein phosphatase non-receptor type 1 | 5 |
| 18029185 | 10.1016/j.bmc.2007.10.036 | 72 kDa type IV collagenase | 1 |
| 25907369 | 10.1016/j.bmc.2015.04.007 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine