Compound Detail
CHEMBL442289
RHAMNOCITRIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL442289 |
| Name | RHAMNOCITRIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MQSZRBPYXNEFHF-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
300.3
MW (Da)
2.59
ALogP
6
HBA
3
HBD
100.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 7.29 | 7.29 | 51.0 | 1 |
| Neuraminidase CHEMBL6135 | IC50 | 4.29 | 4.1933 | 51500.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | IC50 | = | 51.0 | nM | 7.29 | Inhibition of human MAO-A using kynuramine as substrate after 30 mins by spectro... | 30686752 |
| Neuraminidase | IC50 | = | 51500.0 | nM | 4.29 | Inhibition of Influenza A PR/8/34 H1N1 virus neuraminidase activity by MUN-ANA s... | 18640042 |
| Neuraminidase | IC50 | = | 62000.0 | nM | 4.21 | Inhibition of Influenza A Jiangsu/10/2003 virus neuraminidase activity by MUN-AN... | 18640042 |
| Neuraminidase | IC50 | = | 83900.0 | nM | 4.08 | Inhibition of Influenza A Jinan/15/90 H3N2 virus neuraminidase activity by MUN-A... | 18640042 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18640042 | 10.1016/j.bmc.2008.06.049 | Neuraminidase | 3 |
| - | 10.1007/s00044-013-0485-8 | Mycobacterium tuberculosis | 3 |
| 10217718 | 10.1021/np980132u | Mus musculus | 2 |
| 20116898 | 10.1016/j.ejmech.2010.01.005 | Neuraminidase | 2 |
| 8904847 | 10.1021/np960451q | Porphyromonas gingivalis | 1 |
| 8904847 | 10.1021/np960451q | Prevotella intermedia | 1 |
| 8904847 | 10.1021/np960451q | Streptococcus mutans | 1 |
| 8904847 | 10.1021/np960451q | Actinomyces viscosus | 1 |
| 10543897 | 10.1021/np9901579 | Porphyromonas gingivalis | 1 |
| 19422205 | 10.1021/np800760p | Human alphaherpesvirus 1 | 1 |
| 19422205 | 10.1021/np800760p | Vero | 1 |
| 22961680 | 10.1124/dmd.112.047142 | ADMET | 1 |
| 30686752 | 10.1016/j.bmcl.2019.01.016 | Unchecked | 1 |
| 30686752 | 10.1016/j.bmcl.2019.01.016 | Amine oxidase [flavin-containing] A | 1 |
| 33152378 | 10.1016/j.bmcl.2020.127665 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine