Compound Detail
CHEMBL440091
Aza-flavanone Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL440091 |
| Name | Aza-flavanone |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUCZUBFZQVSURB-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
223.3
MW (Da)
3.43
ALogP
2
HBA
1
HBD
29.1
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tubulin CHEMBL2094134 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tubulin | IC50 | = | 2700.0 | nM | 5.57 | Inhibition of bovine brain tubulin polymerization (ITP). | 9544215 |
| NON-PROTEIN TARGET | IC50 | = | 4000.0 | nM | 5.4 | Cytotoxicity against Drosophila melanogaster S2 cells after 24 hrs by MTT assay | 22100313 |
| MCF7 | IC50 | = | 4000.0 | nM | 5.4 | Cytotoxicity against human MCF7 cells after 24 hrs by MTT assay | 22100313 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22100313 | 10.1016/j.bmcl.2011.10.061 | Nucleic Acid | 2 |
| 9544215 | 10.1021/jm9707479 | KB | 1 |
| 9544215 | 10.1021/jm9707479 | A549 | 1 |
| 9544215 | 10.1021/jm9707479 | HCT-8 | 1 |
| 9544215 | 10.1021/jm9707479 | CAKI-1 | 1 |
| 9544215 | 10.1021/jm9707479 | MCF7 | 1 |
| 9544215 | 10.1021/jm9707479 | SK-MEL-2 | 1 |
| 9544215 | 10.1021/jm9707479 | Tubulin | 1 |
| 22100313 | 10.1016/j.bmcl.2011.10.061 | NON-PROTEIN TARGET | 1 |
| 22100313 | 10.1016/j.bmcl.2011.10.061 | MCF7 | 1 |
| 30108873 | 10.1039/C7MD00162B | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine