Detailed information for compound 783430
Basic information
Technical information
- Name: Unnamed compound
- MW: 359.767 | Formula: C16H14ClN5O3
-
H donors: 1
H acceptors: 4
LogP: 5.66
Rotable bonds: 5
Rule of 5 violations (Lipinski): 1 - SMILES: Cc1cccc(c1)n1nc(c([n+]1[O-])NCc1ccccc1Cl)[N+](=O)[O-]
- InChi: 1S/C16H14ClN5O3/c1-11-5-4-7-13(9-11)20-19-16(22(24)25)15(21(20)23)18-10-12-6-2-3-8-14(12)17/h2-9,18H,10H2,1H3
- InChiKey: QMGULWIEKCSDLF-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 |
|---|---|---|---|---|
| Leishmania major | hypothetical protein, conserved | 0.003 | 0.2537 | 0.2537 |
| Echinococcus multilocularis | NADPH dependent diflavin oxidoreductase 1 | 0.0078 | 1 | 1 |
| Leishmania major | p450 reductase, putative | 0.0078 | 1 | 1 |
| Trypanosoma brucei | S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative | 0.003 | 0.2537 | 0.2537 |
| Echinococcus multilocularis | NADPH cytochrome P450 reductase | 0.0078 | 1 | 1 |
| Echinococcus granulosus | NADPH dependent diflavin oxidoreductase 1 | 0.0078 | 1 | 1 |
| Plasmodium falciparum | nitric oxide synthase, putative | 0.0078 | 1 | 1 |
| Brugia malayi | flavodoxin family protein | 0.003 | 0.2537 | 0.2537 |
| Loa Loa (eye worm) | flavodoxin family protein | 0.003 | 0.2537 | 0.2537 |
| Trypanosoma cruzi | NADPH-dependent FMN/FAD containing oxidoreductase, putative | 0.0078 | 1 | 1 |
| Entamoeba histolytica | type A flavoprotein, putative | 0.003 | 0.2537 | 0.5 |
| Leishmania major | NADPH-cytochrome p450 reductase-like protein | 0.0078 | 1 | 1 |
| Entamoeba histolytica | type A flavoprotein, putative | 0.003 | 0.2537 | 0.5 |
| Brugia malayi | FAD binding domain containing protein | 0.0048 | 0.5377 | 0.5377 |
| Trypanosoma cruzi | Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative | 0.003 | 0.2537 | 0.2537 |
| Trypanosoma brucei | NADPH-cytochrome p450 reductase, putative | 0.0078 | 1 | 1 |
| Plasmodium vivax | NADPH-cytochrome p450 reductase, putative | 0.0078 | 1 | 1 |
| Mycobacterium ulcerans | formate dehydrogenase H FdhF | 0.0078 | 1 | 1 |
| Toxoplasma gondii | flavodoxin domain-containing protein | 0.0039 | 0.3911 | 0.5 |
| Treponema pallidum | flavodoxin | 0.003 | 0.2537 | 0.5 |
| Schistosoma mansoni | 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase | 0.0048 | 0.5377 | 0.2407 |
| Trypanosoma cruzi | Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative | 0.003 | 0.2537 | 0.2537 |
| Trichomonas vaginalis | NADPH fad oxidoreductase, putative | 0.0069 | 0.8626 | 0.8159 |
| Giardia lamblia | Hypothetical protein | 0.0069 | 0.8626 | 0.5 |
| Trypanosoma brucei | NADPH--cytochrome P450 reductase, putative | 0.0078 | 1 | 1 |
| Trypanosoma brucei | NADPH--cytochrome P450 reductase, putative | 0.0078 | 1 | 1 |
| Schistosoma mansoni | NADPH flavin oxidoreductase | 0.0039 | 0.4003 | 0.0151 |
| Entamoeba histolytica | type A flavoprotein, putative | 0.003 | 0.2537 | 0.5 |
| Echinococcus granulosus | NADPH cytochrome P450 reductase | 0.0078 | 1 | 1 |
| Chlamydia trachomatis | sulfite reductase | 0.0048 | 0.5377 | 0.5 |
| Trypanosoma cruzi | cytochrome P450 reductase, putative | 0.0078 | 1 | 1 |
| Trypanosoma cruzi | cytochrome P450 reductase, putative | 0.0078 | 1 | 1 |
| Trypanosoma cruzi | p450 reductase, putative | 0.0078 | 1 | 1 |
| Trichomonas vaginalis | sulfite reductase, putative | 0.0078 | 1 | 1 |
| Loa Loa (eye worm) | FAD binding domain-containing protein | 0.0078 | 1 | 1 |
| Entamoeba histolytica | type A flavoprotein, putative | 0.003 | 0.2537 | 0.5 |
| Brugia malayi | FAD binding domain containing protein | 0.0078 | 1 | 1 |
| Toxoplasma gondii | flavodoxin domain-containing protein | 0.0039 | 0.3911 | 0.5 |
| Plasmodium vivax | flavodoxin domain containing protein | 0.0069 | 0.8626 | 0.8159 |
| Giardia lamblia | Nitric oxide synthase, inducible | 0.0069 | 0.8626 | 0.5 |
| Entamoeba histolytica | type A flavoprotein, putative | 0.003 | 0.2537 | 0.5 |
| Trypanosoma brucei | NADPH-dependent diflavin oxidoreductase 1 | 0.0078 | 1 | 1 |
| Schistosoma mansoni | cytochrome P450 reductase | 0.0078 | 1 | 1 |
| Loa Loa (eye worm) | FAD binding domain-containing protein | 0.0048 | 0.5377 | 0.5377 |
| Trypanosoma cruzi | NADPH--cytochrome P450 reductase, putative | 0.003 | 0.2537 | 0.2537 |
| Loa Loa (eye worm) | hypothetical protein | 0.0078 | 1 | 1 |
| Leishmania major | cytochrome P450 reductase, putative | 0.0069 | 0.8626 | 0.8626 |
Activities
No activities found for this compound.
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
- Search by Saint Jude
Bibliographic References
No literature references available for this target.
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