Compound Detail
CHEMBL590635
SHINFLAVANONE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL590635 |
| Name | SHINFLAVANONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NEIURIYDQMKXIG-QHCPKHFHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
390.5
MW (Da)
5.79
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.67
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 5.3 | 5.3 | 5000.0 | 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 | = | 5000.0 | nM | 5.3 | Inhibition of recombinant human PTP1B using pNPP as substrate after 30 mins | 28140583 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28140583 | 10.1021/acs.jnatprod.6b00783 | Tyrosine-protein phosphatase non-receptor type 1 | 3 |
| 20022509 | 10.1016/j.bmc.2009.11.027 | Peroxisome proliferator-activated receptor gamma | 1 |
| 28140583 | 10.1021/acs.jnatprod.6b00783 | Tyrosinase | 1 |
| 28140583 | 10.1021/acs.jnatprod.6b00783 | Nuclear factor erythroid 2-related factor 2 | 1 |
| 28140583 | 10.1021/acs.jnatprod.6b00783 | RAW264.7 | 1 |
| 28140583 | 10.1021/acs.jnatprod.6b00783 | Unchecked | 1 |
| 28140583 | 10.1021/acs.jnatprod.6b00783 | HepG2 | 1 |
| 28140583 | 10.1021/acs.jnatprod.6b00783 | A549 | 1 |
| 28140583 | 10.1021/acs.jnatprod.6b00783 | MCF7 | 1 |
| 28140583 | 10.1021/acs.jnatprod.6b00783 | SW480 | 1 |
Data from ChEMBL 36 via Core Engine