Detailed information for compound 1757298

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 328.389 | Formula: C16H16N4O2S
  • H donors: 2 H acceptors: 3 LogP: 2.61 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCNC(=O)Nc1nc2c(s1)cc(cc2)c1ccncc1OC
  • InChi: 1S/C16H16N4O2S/c1-3-18-15(21)20-16-19-12-5-4-10(8-14(12)23-16)11-6-7-17-9-13(11)22-2/h4-9H,3H2,1-2H3,(H2,18,19,20,21)
  • InChiKey: GSWKIUPSAIYBOM-UHFFFAOYSA-N  


Substructure search Similarity search

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
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0661 0.7207 1
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0377 0.0523
Brugia malayi hypothetical protein 0.0168 0.1507 0.209
Brugia malayi hypothetical protein 0.0136 0.1138 0.158
Loa Loa (eye worm) hypothetical protein 0.004 0.0025 0.0034
Schistosoma mansoni hypothetical protein 0.0054 0.0182 0.0253
Loa Loa (eye worm) hypothetical protein 0.004 0.0025 0.0034
Schistosoma mansoni hypothetical protein 0.0189 0.1743 0.2418
Mycobacterium ulcerans esterase/lipase LipP 0.004 0.0025 0.5
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0661 0.7207 1
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0661 0.7207 1
Loa Loa (eye worm) hypothetical protein 0.0168 0.1507 0.209
Brugia malayi TAR-binding protein 0.0071 0.0377 0.0523
Schistosoma mansoni hypothetical protein 0.004 0.0024 0.0034
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0661 0.7207 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.0203 0.0282
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0661 0.7207 0.72
Plasmodium vivax RNA helicase-1, putative 0.0661 0.7207 1
Schistosoma mansoni survival motor neuron protein 0.0054 0.0182 0.0253
Brugia malayi beta-lactamase family protein 0.004 0.0025 0.0034
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0071 0.0377 0.0523
Echinococcus granulosus eukaryotic initiation factor 4A 0.0661 0.7207 1
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0661 0.7207 1
Brugia malayi eukaryotic initiation factor 4A 0.0661 0.7207 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0256 0.2522 0.3478
Loa Loa (eye worm) RNA binding protein 0.0071 0.0377 0.0523
Leishmania major eukaryotic initiation factor 4a, putative 0.0661 0.7207 1
Echinococcus multilocularis survival motor neuron protein 1 0.0263 0.2605 0.2587
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0661 0.7207 0.72
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0377 0.0523
Echinococcus granulosus geminin 0.0189 0.1743 0.2392
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0025 0.0034
Loa Loa (eye worm) TAR-binding protein 0.0071 0.0377 0.0523
Loa Loa (eye worm) beta-lactamase 0.004 0.0025 0.0034
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0377 0.0523
Brugia malayi hypothetical protein 0.004 0.0024 0.0034
Leishmania major eukaryotic initiation factor 4a, putative 0.0661 0.7207 1
Onchocerca volvulus Huntingtin homolog 0.0136 0.1138 0.1551
Loa Loa (eye worm) hypothetical protein 0.004 0.0025 0.0034
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0377 0.0523
Loa Loa (eye worm) hypothetical protein 0.0661 0.7207 1
Loa Loa (eye worm) hypothetical protein 0.0263 0.2605 0.3615
Schistosoma mansoni transcription factor LCR-F1 0.004 0.0024 0.0034
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0661 0.7207 1
Mycobacterium leprae Probable lipase LipE 0.004 0.0025 0.5
Echinococcus granulosus tar DNA binding protein 0.0071 0.0377 0.0491
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.0025 0.0034
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0661 0.7207 1
Plasmodium falciparum eukaryotic initiation factor 4A 0.0661 0.7207 0.5
Brugia malayi RNA binding protein 0.0071 0.0377 0.0523
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0661 0.7207 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0203 0.0282
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0661 0.7207 1
Loa Loa (eye worm) hypothetical protein 0.0136 0.1138 0.158
Onchocerca volvulus Huntingtin homolog 0.0136 0.1138 0.1551
Brugia malayi beta-lactamase family protein 0.004 0.0025 0.0034
Echinococcus multilocularis tar DNA binding protein 0.0071 0.0377 0.0353
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.004 0.0025 0.5
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0661 0.7207 1
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0661 0.7207 1
Brugia malayi RNA recognition motif domain containing protein 0.0071 0.0377 0.0523
Echinococcus granulosus survival motor neuron protein 1 0.0263 0.2605 0.3594
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0025 0.0034
Mycobacterium ulcerans lipase LipD 0.004 0.0025 0.5
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0661 0.7207 1
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0661 0.7207 0.5
Mycobacterium leprae conserved hypothetical protein 0.004 0.0025 0.5
Brugia malayi beta-lactamase 0.004 0.0025 0.0034
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0054 0.0182 0.0253
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.0203 0.0282
Loa Loa (eye worm) hypothetical protein 0.0136 0.1138 0.158
Echinococcus multilocularis geminin 0.0189 0.1743 0.1722
Loa Loa (eye worm) hypothetical protein 0.004 0.0025 0.0034
Loa Loa (eye worm) hypothetical protein 0.004 0.0025 0.0034
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0661 0.7207 1
Brugia malayi hypothetical protein 0.0263 0.2605 0.3615
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.0025 0.0034
Treponema pallidum ATP-dependent RNA helicase 0.0661 0.7207 0.5
Onchocerca volvulus 0.0168 0.1507 0.2063
Onchocerca volvulus 0.0054 0.0182 0.0219
Schistosoma mansoni hypothetical protein 0.0189 0.1743 0.2418
Loa Loa (eye worm) hypothetical protein 0.004 0.0025 0.0034
Mycobacterium ulcerans hypothetical protein 0.004 0.0025 0.5
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0377 0.0523
Mycobacterium ulcerans beta-lactamase 0.004 0.0025 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.0203 0.0282

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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