Compound Detail
CHEMBL312790
SIDERITIFLAVONE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL312790 |
| Name | SIDERITIFLAVONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UWNUJPINKMRKKR-UHFFFAOYSA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
360.3
MW (Da)
2.60
ALogP
8
HBA
3
HBD
118.6
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.41
Ki 2 meas. best 4.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL2622 | IC50 | 7.41 | 7.41 | 38.9 | 1 |
| B16-F10 CHEMBL612656 | IC50 | 5.25 | 5.25 | 5600.0 | 1 |
| THP-1 CHEMBL614245 | IC50 | 4.91 | 4.91 | 12400.0 | 1 |
| Delta-type opioid receptor CHEMBL3222 | Ki | 4.9 | 4.9 | 12500.0 | 1 |
| Mu-type opioid receptor CHEMBL2858 | Ki | 4.73 | 4.73 | 18500.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.55 | 4.55 | 27900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 | IC50 | = | 38.9 | nM | 7.41 | Inhibition of rat lens aldose reductase | 18585047 |
| B16-F10 | IC50 | = | 5600.0 | nM | 5.25 | Anti-inflammatory activity in LPS-stimulated mouse B16-F10 cells assessed as red... | 37683361 |
| THP-1 | IC50 | = | 12400.0 | nM | 4.91 | Anti-inflammatory activity in LPS-stimulated human THP-1 cells assessed as reduc... | 37683361 |
| Delta-type opioid receptor | Ki | = | 12500.0 | nM | 4.9 | Displacement of [3H]DPDPE from delta opioid receptor in CD1 mouse whole brain mi... | 25562563 |
| Mu-type opioid receptor | Ki | = | 18500.0 | nM | 4.73 | Displacement of [3H]DAMGO from mu opioid receptor in CD1 mouse whole brain minus... | 25562563 |
| Unchecked | IC50 | = | 27900.0 | nM | 4.55 | Inhibition of AKT activity in human MM121224 cells harboring BRAF V600E/NRAS Q61... | 35640148 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35640148 | 10.1021/acs.jnatprod.2c00146 | Unchecked | 2 |
| 9632366 | 10.1021/jm970842h | Panel NCI-60 (60 carcinoma cell lines) | 1 |
| 14510616 | 10.1021/np030020p | RBL-2H3 | 1 |
| 14510616 | 10.1021/np030020p | ADMET | 1 |
| 18585047 | 10.1016/j.bmc.2008.06.004 | Aldo-keto reductase family 1 member B1 | 1 |
| 25562563 | 10.1021/np500671v | Delta-type opioid receptor | 1 |
| 25562563 | 10.1021/np500671v | Mu-type opioid receptor | 1 |
| 25562563 | 10.1021/np500671v | Unchecked | 1 |
| 37683361 | 10.1016/j.ejmech.2023.115791 | THP-1 | 1 |
| 37683361 | 10.1016/j.ejmech.2023.115791 | B16-F10 | 1 |
Data from ChEMBL 36 via Core Engine