Detailed information for compound 1570971
Basic information
Technical information
- Name: Unnamed compound
- MW: 399.427 | Formula: C17H17N7O3S
-
H donors: 1
H acceptors: 4
LogP: 2.31
Rotable bonds: 5
Rule of 5 violations (Lipinski): 1 - SMILES: NC(=N)c1ccc(cc1)N1CCN(CC1)c1nnc(s1)c1ccc(o1)[N+](=O)[O-]
- InChi: 1S/C17H17N7O3S/c18-15(19)11-1-3-12(4-2-11)22-7-9-23(10-8-22)17-21-20-16(28-17)13-5-6-14(27-13)24(25)26/h1-6H,7-10H2,(H3,18,19)
- InChiKey: KBNJQZBESLFJTQ-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 |
|---|---|---|---|---|
| Trichomonas vaginalis | CMGC family protein kinase | 0.0053 | 0.614 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.008 | 1 | 1 |
| Loa Loa (eye worm) | animal heme peroxidase | 0.008 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.008 | 1 | 1 |
| Brugia malayi | Animal haem peroxidase family protein | 0.008 | 1 | 1 |
| Loa Loa (eye worm) | CYP4Cod1 | 0.0013 | 0.0515 | 0.0515 |
| Brugia malayi | Animal haem peroxidase family protein | 0.008 | 1 | 1 |
| Brugia malayi | Animal haem peroxidase family protein | 0.008 | 1 | 1 |
| Mycobacterium ulcerans | cytochrome P450 185A4 Cyp185A4 | 0.0013 | 0.0515 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.008 | 1 | 1 |
| Brugia malayi | Peroxidasin | 0.008 | 1 | 1 |
| Loa Loa (eye worm) | blistered cuticle protein 3 | 0.008 | 1 | 1 |
| Trypanosoma brucei | mitogen activated protein kinase 4, putative | 0.0053 | 0.614 | 1 |
| Onchocerca volvulus | Chorion peroxidase homolog | 0.008 | 1 | 0.5 |
| Trypanosoma cruzi | mitogen activated protein kinase 4, putative | 0.0053 | 0.614 | 1 |
| Trypanosoma brucei | protein kinase, putative | 0.0053 | 0.614 | 1 |
| Trypanosoma cruzi | mitogen-activated protein kinase 11, putative | 0.0053 | 0.614 | 1 |
| Onchocerca volvulus | Peroxidasin homolog | 0.008 | 1 | 0.5 |
| Loa Loa (eye worm) | cytochrome P450 family protein | 0.0013 | 0.0515 | 0.0515 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0053 | 0.614 | 0.5 |
| Onchocerca volvulus | 0.008 | 1 | 0.5 | |
| Echinococcus multilocularis | peroxidasin | 0.008 | 1 | 1 |
| Onchocerca volvulus | Peroxidase homolog | 0.008 | 1 | 0.5 |
| Leishmania major | mitogen activated protein kinase, putative,map kinase, putative | 0.0053 | 0.614 | 1 |
| Schistosoma mansoni | peroxidasin | 0.008 | 1 | 1 |
| Loa Loa (eye worm) | animal heme peroxidase | 0.008 | 1 | 1 |
| Brugia malayi | Animal haem peroxidase family protein | 0.008 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.008 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.008 | 1 | 1 |
| Loa Loa (eye worm) | animal heme peroxidase | 0.008 | 1 | 1 |
| Brugia malayi | Blistered cuticle protein 3 | 0.008 | 1 | 1 |
| Schistosoma mansoni | peroxidasin | 0.008 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.008 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.008 | 1 | 1 |
| Giardia lamblia | Kinase, CMGC MAPK | 0.0053 | 0.614 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.008 | 1 | 1 |
| Brugia malayi | MAP kinase sur-1 | 0.0053 | 0.614 | 0.5931 |
| Brugia malayi | Animal haem peroxidase family protein | 0.008 | 1 | 1 |
| Loa Loa (eye worm) | animal heme peroxidase | 0.008 | 1 | 1 |
| Trypanosoma cruzi | mitogen activated protein kinase 2, putative | 0.0053 | 0.614 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.008 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.008 | 1 | 1 |
| Toxoplasma gondii | CMGC kinase, MAPK family (ERK) MAPK-1 | 0.0053 | 0.614 | 0.5 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0053 | 0.614 | 0.5 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0053 | 0.614 | 0.5 |
| Onchocerca volvulus | Dual oxidase homolog | 0.008 | 1 | 0.5 |
| Loa Loa (eye worm) | cytochrome P450 family protein | 0.0013 | 0.0515 | 0.0515 |
| Loa Loa (eye worm) | hypothetical protein | 0.008 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.008 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.008 | 1 | 1 |
| Echinococcus granulosus | peroxidasin | 0.008 | 1 | 1 |
| Onchocerca volvulus | 0.008 | 1 | 0.5 | |
| Loa Loa (eye worm) | hypothetical protein | 0.008 | 1 | 1 |
| Leishmania major | mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 | 0.0053 | 0.614 | 1 |
| Onchocerca volvulus | Peroxidase homolog | 0.008 | 1 | 0.5 |
| Onchocerca volvulus | 0.008 | 1 | 0.5 | |
| Loa Loa (eye worm) | CMGC/MAPK/ERK1 protein kinase | 0.0053 | 0.614 | 0.614 |
| Trypanosoma cruzi | mitogen-activated protein kinase 11, putative | 0.0053 | 0.614 | 1 |
| Onchocerca volvulus | Peroxidasin homolog | 0.008 | 1 | 0.5 |
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
- ChEMBL: CHEMBL1789685
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.