Detailed information for compound 1792146
Basic information
Technical information
- Name: Unnamed compound
- MW: 360.452 | Formula: C22H24N4O
-
H donors: 0
H acceptors: 1
LogP: 3.07
Rotable bonds: 5
Rule of 5 violations (Lipinski): 1 - SMILES: O=c1ccc(nn1CCN1CCN(CC1)c1ccccc1)c1ccccc1
- InChi: 1S/C22H24N4O/c27-22-12-11-21(19-7-3-1-4-8-19)23-26(22)18-15-24-13-16-25(17-14-24)20-9-5-2-6-10-20/h1-12H,13-18H2
- InChiKey: GJDSMCSPHGVZQW-UHFFFAOYSA-N
Network
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Synonyms
No synonyms found for this compound
Targets
Known targets for this compound
No curated genes were found associated with this compound
Predicted pathogen targets for this compound
By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Echinococcus multilocularis | Pyruvate dehydrogenase (lipoamide) kinase | 0.2661 | 1 | 0.5 |
| Toxoplasma gondii | ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein | 0.1078 | 0 | 0.5 |
| Leishmania major | developmentally regulated phosphoprotein-like protein | 0.2661 | 1 | 0.5 |
| Schistosoma mansoni | pyruvate dehydrogenase | 0.2661 | 1 | 1 |
| Echinococcus granulosus | Pyruvate dehydrogenase lipoamide kinase | 0.2661 | 1 | 0.5 |
| Trypanosoma cruzi | developmentally regulated phosphoprotein, putative | 0.2661 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.2661 | 1 | 0.5 |
| Trypanosoma brucei | developmentally regulated phosphoprotein | 0.2661 | 1 | 0.5 |
| Echinococcus multilocularis | Pyruvate dehydrogenase (lipoamide) kinase | 0.2661 | 1 | 0.5 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Activity (ADMET) | Ulcerogenic activity in p-benzoquinone-challenged Swiss albino Mus musculus (mouse) at 100 mg/kg, po administered 60 min prior to p-benzoquinone-challenge by microscopic analysis | ChEMBL. | No reference | |
| Inhibition (functional) | = 3.1 % | Anti-inflammatory activity in Swiss albino Mus musculus (mouse) assessed as inhibition of carrageenan-induced paw edema at 100 mg/kg, po administered 60 min prior to crrageenan-challenge measured at 360 min relative to control | ChEMBL. | No reference |
| Inhibition (functional) | = 6.4 % | Anti-inflammatory activity in Swiss albino Mus musculus (mouse) assessed as inhibition of carrageenan-induced paw edema at 100 mg/kg, po administered 60 min prior to crrageenan-challenge measured at 270 min relative to control | ChEMBL. | No reference |
| Inhibition (functional) | = 10.7 % | Analgesic activity in Swiss albino Mus musculus (mouse) assessed as inhibition of p-benzoquinone-induced writhing at 100 mg/kg, po administered 60 min prior to p-benzoquinone-challenge measured up to 15 min relative to control | ChEMBL. | No reference |
| MIC (functional) | = 32 ug ml-1 | Antifungal activity against Candida albicans ATCC 10231 after 48 hr by two-fold serial dilution method | ChEMBL. | No reference |
| MIC (functional) | = 64 ug ml-1 | Antibacterial activity against Escherichia coli clinical isolate expressing extended spectrum beta-lactamase after 24 hr by two-fold serial dilution method | ChEMBL. | No reference |
| MIC (functional) | = 64 ug ml-1 | Antibacterial activity against Escherichia coli ATCC 25922 after 24 hr by two-fold serial dilution method | ChEMBL. | No reference |
Phenotypes
Whole-cell/tissue/organism interactions
We have no records of whole-cell/tissue assays done with this compound
What does this mean?
Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.
Annotated phenotypes:
We have no manually annotated phenotypes for this drug.
What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by
drugs, or by genetic manipulation of cells (e.g. gene knockouts or
knockdowns) is manually curated from the literature. These
descriptions help to describe the potential of the target for drug
development. If no information is available for this gene or if the
information is incomplete, this may mean that i) the papers
containing this information either appeared after the curation
effort for this organism was carried out or they were inadvertently
missed by curators; or that ii) the curation effort for this
organism has not yet started.
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.
External resources for this compound
- ChEMBL: CHEMBL2298851
Bibliographic References
No literature references available for this target.
If you have references for this compound, please enter them in a user comment (below) or Contact us.