Detailed information for compound 2071780

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 330.448 | Formula: C17H22N4OS
  • H donors: 1 H acceptors: 2 LogP: 2.27 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCN(CC1)c1nccc(c1)CNC(=O)c1sccc1C
  • InChi: 1S/C17H22N4OS/c1-13-4-10-23-16(13)17(22)19-12-14-3-5-18-15(11-14)21-8-6-20(2)7-9-21/h3-5,10-11H,6-9,12H2,1-2H3,(H,19,22)
  • InChiKey: LDPPCJJRCGSUTG-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
Echinococcus multilocularis isocitrate dehydrogenase 0.0017 0.0018 0.0018
Loa Loa (eye worm) isocitrate dehydrogenase 0.0017 0.0018 0.0018
Loa Loa (eye worm) hypothetical protein 0.0132 0.1527 0.1527
Echinococcus granulosus sodium and chloride dependent glycine 0.0132 0.1527 0.1527
Toxoplasma gondii hypothetical protein 0.0132 0.1527 1
Loa Loa (eye worm) solute carrier family 6 member 4 0.0776 1 1
Echinococcus granulosus nuclear factor of activated T cells 5 0.0079 0.0837 0.0837
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.05 0.0483
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0132 0.1527 0.1527
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0132 0.1527 0.1512
Echinococcus granulosus geminin 0.0182 0.2193 0.2193
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0132 0.1527 0.1527
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0018 0.0018
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0018 0.0018
Loa Loa (eye worm) serotonin transporter b 0.0776 1 1
Schistosoma mansoni hypothetical protein 0.0037 0.0277 0.026
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0152 0.0883
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0017 0.0018 0.5
Schistosoma mansoni biogenic amine (5HT) receptor 0.0194 0.2354 0.234
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0018 0.0018
Loa Loa (eye worm) hypothetical protein 0.0194 0.2354 0.2354
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0304 0.0304
Echinococcus granulosus serotonin transporter 0.0776 1 1
Echinococcus multilocularis GPCR, family 2 0.0017 0.0018 0.0018
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0132 0.1527 0.1512
Loa Loa (eye worm) hypothetical protein 0.0194 0.2354 0.2354
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0132 0.1527 0.1512
Schistosoma mansoni hypothetical protein 0.0039 0.0304 0.0287
Echinococcus multilocularis jun protein 0.009 0.0983 0.0983
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0132 0.1527 0.1512
Loa Loa (eye worm) hypothetical protein 0.0037 0.0277 0.0277
Loa Loa (eye worm) norepinephrine transporter 0.0776 1 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0018 0.0018
Echinococcus multilocularis serotonin receptor 0.0194 0.2354 0.2354
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0132 0.1527 0.1512
Brugia malayi hypothetical protein 0.0018 0.0025 0.0007
Brugia malayi hypothetical protein 0.0027 0.0152 0.0134
Plasmodium vivax amine transporter, putative 0.0132 0.1527 1
Plasmodium vivax hypothetical protein, conserved 0.0132 0.1527 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0132 0.1527 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0132 0.1527 0.1512
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0017 0.0018 0.0018
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0132 0.1527 0.1512
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0132 0.1527 0.1512
Entamoeba histolytica hypothetical protein 0.0039 0.0304 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.05 0.05
Treponema pallidum sodium- and chloride- dependent transporter 0.0776 1 0.5
Echinococcus multilocularis geminin 0.0182 0.2193 0.2193
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0132 0.1527 0.1512
Schistosoma mansoni sodium/chloride dependent transporter 0.0776 1 1
Loa Loa (eye worm) hypothetical protein 0.0088 0.0951 0.0951
Brugia malayi hypothetical protein 0.0071 0.0728 0.0711
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0304 0.0304
Brugia malayi hypothetical protein 0.0132 0.1527 0.1512
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0018 0.0018
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0018 0.0018
Loa Loa (eye worm) hypothetical protein 0.0132 0.1527 0.1527
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0132 0.1527 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0018 0.0018
Schistosoma mansoni sodium/chloride dependent transporter 0.0132 0.1527 0.1512
Brugia malayi bZIP transcription factor family protein 0.009 0.0983 0.0967
Loa Loa (eye worm) hypothetical protein 0.0132 0.1527 0.1527
Onchocerca volvulus 0.0132 0.1527 0.0862
Plasmodium falciparum amino acid transporter, putative 0.0132 0.1527 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0152 1
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0152 1
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0132 0.1527 0.1527
Schistosoma mansoni hypothetical protein 0.0073 0.0761 0.0744
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0018 0.0018
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0277 0.026
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.05 0.0483
Leishmania major hypothetical protein, conserved 0.0027 0.0152 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0194 0.2354 0.2354
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0132 0.1527 0.1527
Echinococcus granulosus jun protein 0.009 0.0983 0.0983
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0132 0.1527 1
Onchocerca volvulus 0.0776 1 1
Loa Loa (eye worm) hypothetical protein 0.0776 1 1
Entamoeba histolytica hypothetical protein 0.0039 0.0304 0.5
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0132 0.1527 0.1512
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0132 0.1527 0.1512
Schistosoma mansoni hypothetical protein 0.0182 0.2193 0.2179
Echinococcus granulosus GPCR family 2 0.0017 0.0018 0.0018
Toxoplasma gondii hypothetical protein 0.0132 0.1527 1
Loa Loa (eye worm) hypothetical protein 0.0132 0.1527 0.1527
Schistosoma mansoni sodium-dependent amino acid transporter 0.0132 0.1527 0.1512
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0132 0.1527 0.1527
Plasmodium falciparum transporter, putative 0.0132 0.1527 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0152 0.0152
Loa Loa (eye worm) hypothetical protein 0.0776 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0152 0.0883
Entamoeba histolytica hypothetical protein 0.0039 0.0304 0.5
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0132 0.1527 1
Onchocerca volvulus 0.0132 0.1527 0.0862
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0132 0.1527 0.1527
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0776 1 1
Schistosoma mansoni hypothetical protein 0.0182 0.2193 0.2179
Echinococcus granulosus sodium and chloride dependent glycine 0.0132 0.1527 0.1527
Schistosoma mansoni jun-related protein 0.0073 0.0761 0.0744
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0018 0.0018
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0304 0.0287
Entamoeba histolytica hypothetical protein 0.0039 0.0304 0.5
Loa Loa (eye worm) hypothetical protein 0.0132 0.1527 0.1527
Schistosoma mansoni sodium/chloride dependent transporter 0.0132 0.1527 0.1512
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0132 0.1527 0.1527
Loa Loa (eye worm) hypothetical protein 0.0054 0.05 0.05
Echinococcus multilocularis sodium and chloride dependent glycine 0.0132 0.1527 0.1527
Loa Loa (eye worm) hypothetical protein 0.0776 1 1
Echinococcus multilocularis serotonin receptor 0.0194 0.2354 0.2354
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0132 0.1527 0.1527
Onchocerca volvulus 0.0132 0.1527 0.0862
Loa Loa (eye worm) hypothetical protein 0.0132 0.1527 0.1527
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0132 0.1527 0.1527
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0132 0.1527 0.1512
Loa Loa (eye worm) hypothetical protein 0.0132 0.1527 0.1527
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.009 0.0983 0.0983
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0017 0.0018 0.0018
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.0152 0.0883
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0152 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.009 0.0983 0.0983
Brugia malayi hypothetical protein 0.0039 0.0304 0.0287
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0079 0.0837 0.0837
Echinococcus multilocularis sodium and chloride dependent glycine 0.0132 0.1527 0.1527
Echinococcus multilocularis serotonin transporter 0.0776 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0152 0.0883

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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