Detailed information for compound 937413

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 320.84 | Formula: C15H17ClN4S
  • H donors: 0 H acceptors: 2 LogP: 3.5 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCN(CC1)c1ccnc(n1)Sc1cccc(c1)Cl
  • InChi: 1S/C15H17ClN4S/c1-19-7-9-20(10-8-19)14-5-6-17-15(18-14)21-13-4-2-3-12(16)11-13/h2-6,11H,7-10H2,1H3
  • InChiKey: VPHXPAFRPCEQGA-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 potassium voltage gated channel subfamily H 0.0021 0.0062 0.0044
Loa Loa (eye worm) serotonin transporter b 0.1557 1 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0264 0.1636 0.1636
Toxoplasma gondii hypothetical protein 0.0264 0.1636 0.5
Schistosoma mansoni sodium/chloride dependent transporter 0.0264 0.1636 0.1636
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0068 0.0367 1
Echinococcus multilocularis serotonin transporter 0.1557 1 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0264 0.1636 0.162
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0264 0.1636 0.162
Schistosoma mansoni sodium-dependent amino acid transporter 0.0264 0.1636 0.1636
Loa Loa (eye worm) CYP4Cod1 0.0016 0.0026 0.0007
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0014 0.0019 0.0019
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0264 0.1636 0.162
Loa Loa (eye worm) hypothetical protein 0.0264 0.1636 0.162
Loa Loa (eye worm) hypothetical protein 0.0264 0.1636 0.162
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0264 0.1636 0.162
Treponema pallidum sodium- and chloride- dependent transporter 0.1557 1 0.5
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0264 0.1636 0.162
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0264 0.1636 0.162
Plasmodium vivax hypothetical protein, conserved 0.0264 0.1636 0.5
Loa Loa (eye worm) hypothetical protein 0.0264 0.1636 0.162
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0264 0.1636 0.1636
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0073 0.0399 0.038
Loa Loa (eye worm) hypothetical protein 0.0264 0.1636 0.162
Brugia malayi Cytochrome P450 family protein 0.0016 0.0026 0.0007
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0014 0.0019 0.0019
Schistosoma mansoni voltage-gated potassium channel 0.0021 0.0062 0.0062
Onchocerca volvulus 0.1557 1 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0016 0.0026 0.5
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0264 0.1636 0.1636
Echinococcus multilocularis sodium and chloride dependent glycine 0.0264 0.1636 0.162
Toxoplasma gondii hypothetical protein 0.0264 0.1636 0.5
Echinococcus granulosus voltage gated potassium channel 0.0021 0.0062 0.0044
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0264 0.1636 0.5
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0264 0.1636 0.1636
Trypanosoma cruzi cytochrome P450, putative 0.0016 0.0026 0.5
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0264 0.1636 0.5
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0264 0.1636 0.1636
Loa Loa (eye worm) hypothetical protein 0.0264 0.1636 0.162
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0264 0.1636 0.162
Brugia malayi Cytochrome P450 family protein 0.0016 0.0026 0.0007
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0264 0.1636 0.162
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0073 0.0399 0.038
Loa Loa (eye worm) solute carrier family 6 member 4 0.1557 1 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0021 0.0062 0.0044
Schistosoma mansoni voltage-gated potassium channel 0.008 0.0442 0.0442
Brugia malayi hypothetical protein 0.0264 0.1636 0.162
Echinococcus granulosus serotonin transporter 0.1557 1 1
Loa Loa (eye worm) hypothetical protein 0.1557 1 1
Trypanosoma cruzi cytochrome P450, putative 0.0016 0.0026 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0068 0.0367 1
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0014 0.0019 0.0019
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0073 0.0399 0.038
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0264 0.1636 0.162
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0264 0.1636 0.162
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0264 0.1636 0.162
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0264 0.1636 0.1636
Echinococcus multilocularis sodium and chloride dependent glycine 0.0264 0.1636 0.162
Loa Loa (eye worm) cytochrome P450 family protein 0.0016 0.0026 0.0007
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.1557 1 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.0336 0.0318
Schistosoma mansoni voltage-gated potassium channel 0.0014 0.0019 0.0019
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0264 0.1636 0.1636
Loa Loa (eye worm) hypothetical protein 0.0021 0.0062 0.0044
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0264 0.1636 0.162
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0021 0.0062 0.0044
Echinococcus multilocularis voltage gated potassium channel 0.0021 0.0062 0.0044
Schistosoma mansoni sodium/chloride dependent transporter 0.0264 0.1636 0.1636
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0264 0.1636 0.1636
Plasmodium falciparum transporter, putative 0.0264 0.1636 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0016 0.0026 0.0007
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0014 0.0019 0.0019
Plasmodium falciparum amino acid transporter, putative 0.0264 0.1636 0.5
Leishmania major cytochrome p450-like protein 0.0016 0.0026 0.5
Schistosoma mansoni sodium/chloride dependent transporter 0.1557 1 1
Loa Loa (eye worm) hypothetical protein 0.1557 1 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0073 0.0399 0.038
Trypanosoma brucei cytochrome P450, putative 0.0016 0.0026 0.5
Plasmodium vivax amine transporter, putative 0.0264 0.1636 0.5
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0264 0.1636 0.5
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0264 0.1636 0.5
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0264 0.1636 0.162
Schistosoma mansoni voltage-gated potassium channel 0.008 0.0442 0.0442
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0014 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.0264 0.1636 0.162
Echinococcus granulosus sodium and chloride dependent glycine 0.0264 0.1636 0.162
Loa Loa (eye worm) hypothetical protein 0.1557 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0021 0.0062 0.0062
Loa Loa (eye worm) norepinephrine transporter 0.1557 1 1
Echinococcus granulosus sodium and chloride dependent glycine 0.0264 0.1636 0.162
Loa Loa (eye worm) hypothetical protein 0.0264 0.1636 0.162

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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