Compound Detail
CHEMBL488606
8-DEOXYGARTANIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL488606 |
| Name | 8-DEOXYGARTANIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GVQOVMKBYJKZSY-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
380.4
MW (Da)
5.08
ALogP
5
HBA
3
HBD
90.9
PSA (Ų)
0.43
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.95
Ki 1 meas. best 4.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transcription factor p65 CHEMBL5533 | IC50 | 4.95 | 4.95 | 11300.0 | 1 |
| Sialidase CHEMBL5189 | Ki | 4.81 | 4.81 | 15500.0 | 1 |
| Oxidized purine nucleoside triphosphate hydrolase CHEMBL3708265 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
| Sialidase CHEMBL5189 | IC50 | 4.54 | 4.54 | 29200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transcription factor p65 | IC50 | = | 11300.0 | nM | 4.95 | Inhibition of nuclear factor NF-kappa-B p65 subunit after 1 hr by ELISA | 19839614 |
| Sialidase | Ki | = | 15500.0 | nM | 4.81 | Competitive inhibition of Clostridium perfringens neuraminidase by fluorimetry | 20696581 |
| Oxidized purine nucleoside triphosphate hydrolase | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of recombinant C-terminal 6xHis-tagged MTH1 (3 to 156 residues) (unkn... | 30771603 |
| Sialidase | IC50 | = | 29200.0 | nM | 4.54 | Inhibition of Clostridium perfringens neuraminidase by fluorimetry | 20696581 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22578462 | 10.1016/j.bmcl.2012.04.081 | Unchecked | 3 |
| 20696581 | 10.1016/j.bmc.2010.07.033 | Sialidase | 2 |
| 26508549 | 10.1016/j.bmcl.2015.10.034 | Isocitrate dehydrogenase [NADP] cytoplasmic | 2 |
| 11087602 | 10.1021/np000175m | Human immunodeficiency virus 1 | 1 |
| 11087602 | 10.1021/np000175m | CEM-SS | 1 |
| 14695790 | 10.1021/np0303254 | Staphylococcus aureus | 1 |
| 18558747 | 10.1021/np8000255 | Aromatase | 1 |
| 19839614 | 10.1021/np900517h | Transcription factor p65 | 1 |
| 19839614 | 10.1021/np900517h | HT-29 | 1 |
| 19839614 | 10.1021/np900517h | Nuclear factor NF-kappa-B p105 subunit | 1 |
| 30771603 | 10.1016/j.ejmech.2019.02.011 | Oxidized purine nucleoside triphosphate hydrolase | 1 |
Data from ChEMBL 36 via Core Engine