Compound Detail
CHEMBL238628
ALPINUMISOFLAVONE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL238628 |
| Name | ALPINUMISOFLAVONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RQAMSFTXEFSBPK-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
336.3
MW (Da)
4.06
ALogP
5
HBA
2
HBD
79.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monoamine oxidase CHEMBL2111442 | IC50 | 4.59 | 4.59 | 25800.0 | 1 |
| U-937 CHEMBL612794 | IC50 | 4.55 | 4.5033 | 28000.0 | 3 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 4.38 | 4.38 | 41500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monoamine oxidase | IC50 | = | 25800.0 | nM | 4.59 | Inhibition of mouse brain mitochondrial MAO using kynuramine as substrate incuba... | 36029560 |
| U-937 | IC50 | = | 28000.0 | nM | 4.55 | Antiproliferative activity against human U937 cells after 72 hrs by WST-8 assay | 17158054 |
| U-937 | IC50 | = | 32000.0 | nM | 4.5 | Antiproliferative activity against human U937 cells after 48 hrs by WST-8 assay | 17158054 |
| U-937 | IC50 | = | 35000.0 | nM | 4.46 | Antiproliferative activity against human U937 cells after 24 hrs by WST-8 assay | 17158054 |
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 41500.0 | nM | 4.38 | Inhibition of human recombinant PTP1B | 17125223 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36731248 | 10.1016/j.bmc.2023.117187 | Staphylococcus aureus | 5 |
| 17158054 | 10.1016/j.bmc.2006.09.024 | U-937 | 3 |
| 11170668 | 10.1021/np000406p | HSC-2 | 2 |
| 21619045 | 10.1021/np100896w | Unchecked | 2 |
| 21619045 | 10.1021/np100896w | Enoyl-acyl-carrier protein reductase | 2 |
| 12502337 | 10.1021/np020289t | Cryptococcus neoformans | 1 |
| 11858751 | 10.1021/np010147j | Cladosporium cucumerinum | 1 |
| 17125223 | 10.1021/np0601861 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 19705860 | 10.1021/np900271m | Estrogen receptor | 1 |
| 19705860 | 10.1021/np900271m | Estrogen receptor beta | 1 |
| 19705860 | 10.1021/np900271m | Unchecked | 1 |
| 12502337 | 10.1021/np020289t | Candida albicans | 1 |
| 12502337 | 10.1021/np020289t | Unchecked | 1 |
| 28522265 | 10.1016/j.bmc.2017.05.009 | MCF7 | 1 |
| 28522265 | 10.1016/j.bmc.2017.05.009 | SW480 | 1 |
| 28522265 | 10.1016/j.bmc.2017.05.009 | HepG2 | 1 |
| 28522265 | 10.1016/j.bmc.2017.05.009 | L02 | 1 |
| 28522265 | 10.1016/j.bmc.2017.05.009 | HEK-293T | 1 |
| 28522265 | 10.1016/j.bmc.2017.05.009 | RAW264.7 | 1 |
| 36029560 | 10.1016/j.ejmech.2022.114692 | PC-12 | 1 |
Data from ChEMBL 36 via Core Engine