Compound Detail
CHEMBL13311
CHROMONE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL13311 |
| Name | CHROMONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OTAFHZMPRISVEM-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
146.1
MW (Da)
1.79
ALogP
2
HBA
0
HBD
30.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.85 | 4.47 | 14000.0 | 2 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 4.4 | 4.4 | 39900.0 | 1 |
| Alpha-mannosidase CHEMBL3392945 | IC50 | 4.31 | 4.31 | 49000.0 | 1 |
| Tissue alpha-L-fucosidase CHEMBL3545 | IC50 | 4.27 | 4.27 | 54000.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 4.26 | 4.26 | 54900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 14000.0 | nM | 4.85 | Inhibition of Saccharomyces cerevisiae alpha-glucosidase assessed as reduction i... | 31927314 |
| Amine oxidase [flavin-containing] A | IC50 | = | 39900.0 | nM | 4.4 | Inhibition of recombinant human MAO-A assessed as inhibition of kynuramine to 4-... | 22850212 |
| Alpha-mannosidase | IC50 | = | 49000.0 | nM | 4.31 | Inhibition of jack bean alpha-mannosidase using PNPG as substrate incubated for ... | 31927314 |
| Tissue alpha-L-fucosidase | IC50 | = | 54000.0 | nM | 4.27 | Inhibition of bovine kidney alpha-fucosidase using PNPG as substrate incubated f... | 31927314 |
| Amine oxidase [flavin-containing] B | IC50 | = | 54900.0 | nM | 4.26 | Inhibition of recombinant human MAO-B assessed as inhibition of kynuramine to 4-... | 22850212 |
| Unchecked | IC50 | = | 81030.0 | nM | 4.09 | Inhibition of Saccharomyces cerevisiae alpha-glucosidase using PNPG as substrate... | 31927314 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20554208 | 10.1016/j.bmc.2010.05.006 | RAW264.7 | 3 |
| 17321745 | 10.1016/j.bmc.2007.02.004 | HUVEC | 2 |
| 20554208 | 10.1016/j.bmc.2010.05.006 | NON-PROTEIN TARGET | 2 |
| 20415424 | 10.1021/jf100073j | Spodoptera frugiperda | 2 |
| 31927314 | 10.1016/j.ejmech.2020.112034 | Unchecked | 2 |
| 10328294 | 10.1016/s0960-894x(99)00141-9 | Helicobacter pylori | 1 |
| 17321745 | 10.1016/j.bmc.2007.02.004 | Liver microsomes | 1 |
| 18318466 | 10.1021/jm7014155 | Indoleamine 2,3-dioxygenase 1 | 1 |
| 12762809 | 10.1021/np020563j | Dermatophagoides pteronyssinus | 1 |
| 22850212 | 10.1016/j.bmcl.2012.07.025 | Amine oxidase [flavin-containing] B | 1 |
| 22850212 | 10.1016/j.bmcl.2012.07.025 | Amine oxidase [flavin-containing] A | 1 |
| 22850212 | 10.1016/j.bmcl.2012.07.025 | Unchecked | 1 |
| 12517100 | 10.1021/jf025627a | Spodoptera litura | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
| 31927314 | 10.1016/j.ejmech.2020.112034 | Tissue alpha-L-fucosidase | 1 |
| 31927314 | 10.1016/j.ejmech.2020.112034 | Alpha-mannosidase | 1 |
Data from ChEMBL 36 via Core Engine