Detailed information for compound 1611109

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 362.491 | Formula: C20H16N3S2+
  • H donors: 0 H acceptors: 1 LogP: 4.48 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#C/C(=C\c1ccc(s1)c1cccs1)/c1n(C)c2c([n+]1C)cccc2
  • InChi: 1S/C20H16N3S2/c1-22-16-6-3-4-7-17(16)23(2)20(22)14(13-21)12-15-9-10-19(25-15)18-8-5-11-24-18/h3-12H,1-2H3/q+1/b14-12+
  • InChiKey: YZEZAMSIDOPQDH-WYMLVPIESA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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 Nuclear pore complex protein Nup153 0.02 0.1911 0.1911
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0563 0.5557 1
Echinococcus multilocularis ring and YY1 binding protein 0.02 0.1911 0.1911
Brugia malayi Cytochrome P450 family protein 0.0012 0.0018 0.0033
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.02 0.1911 1
Loa Loa (eye worm) CYP4Cod1 0.0012 0.0018 0.0033
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.02 0.1911 1
Echinococcus granulosus SWI:SNF matrix associated 0.0563 0.5557 0.5557
Onchocerca volvulus 0.02 0.1911 0.3438
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.02 0.1911 1
Trypanosoma brucei hypothetical protein, conserved 0.02 0.1911 1
Plasmodium vivax hypothetical protein, conserved 0.0563 0.5557 1
Chlamydia trachomatis DNA topoisomerase I 0.0563 0.5557 0.5
Giardia lamblia Hypothetical protein 0.001 0 0.5
Giardia lamblia Protein 21.1 0.001 0 0.5
Echinococcus multilocularis SWI:SNF matrix associated 0.0563 0.5557 0.5557
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0563 0.5557 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.02 0.1911 0.3438
Schistosoma mansoni TRABID protein (C64 family) 0.02 0.1911 0.3438
Entamoeba histolytica zinc finger domain containing protein 0.001 0 0.5
Trypanosoma cruzi WLM domain containing protein, putative 0.02 0.1911 1
Giardia lamblia Protein 21.1 0.001 0 0.5
Onchocerca volvulus 0.02 0.1911 0.3438
Entamoeba histolytica zinc finger domain containing protein 0.001 0 0.5
Onchocerca volvulus 0.02 0.1911 0.3438
Trypanosoma cruzi hypothetical protein, conserved 0.02 0.1911 1
Leishmania major hypothetical protein, conserved 0.02 0.1911 1
Toxoplasma gondii Zn-finger in Ran binding protein and others domain-containing protein 0.02 0.1911 0.3438
Onchocerca volvulus Ubiquitin thioesterase ZRANB1 homolog 0.02 0.1911 0.3438
Brugia malayi SWIB/MDM2 domain containing protein 0.0563 0.5557 1
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0563 0.5557 1
Giardia lamblia Protein 21.1 0.001 0 0.5
Leishmania major hypothetical protein, conserved 0.02 0.1911 1
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0011 0.0005 0.001
Giardia lamblia Protein 21.1 0.001 0 0.5
Schistosoma mansoni brg-1 associated factor 0.0563 0.5557 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0011 0.0005 0.0005
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0037 0.027 0.0486
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0011 0.0005 0.0005
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0563 0.5557 0.5557
Schistosoma mansoni fusion 0.02 0.1911 0.3438
Entamoeba histolytica zinc finger domain containing protein 0.001 0 0.5
Loa Loa (eye worm) hypothetical protein 0.02 0.1911 0.3438
Giardia lamblia Hypothetical protein 0.001 0 0.5
Entamoeba histolytica zinc finger domain containing protein 0.001 0 0.5
Schistosoma mansoni cellular tumor antigen P53 0.0147 0.1376 0.2477
Entamoeba histolytica SPRY domain protein 0.001 0 0.5
Giardia lamblia Protein 21.1 0.001 0 0.5
Chlamydia trachomatis SWIB complex protein 0.0563 0.5557 0.5
Giardia lamblia Hypothetical protein 0.001 0 0.5
Echinococcus multilocularis tumor protein p63 0.1004 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0012 0.0018 0.0033
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0035 0.0246 0.0442
Entamoeba histolytica hypothetical protein 0.001 0 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0035 0.0246 0.0442
Giardia lamblia Protein 21.1 0.001 0 0.5
Giardia lamblia Protein 21.1 0.001 0 0.5
Giardia lamblia Protein 21.1 0.001 0 0.5
Giardia lamblia Protein 21.1 0.001 0 0.5
Onchocerca volvulus 0.02 0.1911 0.3438
Schistosoma mansoni voltage-gated potassium channel 0.004 0.0304 0.0548
Echinococcus granulosus ring and YY1 binding protein 0.02 0.1911 0.1911
Entamoeba histolytica zinc finger domain containing protein 0.001 0 0.5
Giardia lamblia E3 ubiquitin ligase for Rad6p required for the ubiquitination of histone H2B 0.001 0 0.5
Giardia lamblia Hypothetical protein 0.001 0 0.5
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.02 0.1911 0.3438
Giardia lamblia Protein 21.1 0.001 0 0.5
Giardia lamblia Protein 21.1 0.001 0 0.5
Leishmania major cytochrome p450-like protein 0.0012 0.0018 0.0096
Echinococcus multilocularis SWI:SNF matrix associated 0.0563 0.5557 0.5557
Schistosoma mansoni hypothetical protein 0.02 0.1911 0.3438
Trypanosoma cruzi cytochrome P450, putative 0.0012 0.0018 0.0096
Loa Loa (eye worm) hypothetical protein 0.02 0.1911 0.3438
Loa Loa (eye worm) hypothetical protein 0.02 0.1911 0.3438
Trypanosoma cruzi hypothetical protein, conserved 0.02 0.1911 1
Echinococcus multilocularis zinc finger protein Ran binding 0.02 0.1911 0.1911
Schistosoma mansoni voltage-gated potassium channel 0.0011 0.0005 0.001
Trypanosoma brucei hypothetical protein, conserved 0.02 0.1911 1
Giardia lamblia Kinase 0.001 0 0.5
Schistosoma mansoni RNA binding protein 0.02 0.1911 0.3438
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0563 0.5557 0.5557
Entamoeba histolytica zinc finger domain containing protein 0.001 0 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0012 0.0018 0.0033
Echinococcus granulosus Nuclear pore complex protein Nup153 0.02 0.1911 0.1911
Entamoeba histolytica zinc finger domain containing protein 0.001 0 0.5
Leishmania major hypothetical protein, conserved 0.02 0.1911 1
Schistosoma mansoni voltage-gated potassium channel 0.004 0.0304 0.0548
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.02 0.1911 1
Brugia malayi brahma associated protein 60 kDa 0.0563 0.5557 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0221 0.0397
Entamoeba histolytica zinc finger domain containing protein 0.001 0 0.5
Loa Loa (eye worm) brahma associated protein 0.0563 0.5557 1
Brugia malayi Cytochrome P450 family protein 0.0012 0.0018 0.0033
Trichomonas vaginalis conserved hypothetical protein 0.0563 0.5557 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0012 0.0018 0.5
Loa Loa (eye worm) hypothetical protein 0.0011 0.0005 0.001
Giardia lamblia Hypothetical protein 0.001 0 0.5
Onchocerca volvulus 0.0563 0.5557 1
Echinococcus multilocularis Zinc finger, RanBP2 type 0.02 0.1911 0.1911
Giardia lamblia Protein 21.1 0.001 0 0.5
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.02 0.1911 1
Giardia lamblia Ribonuclease 0.001 0 0.5
Leishmania major hypothetical protein, conserved 0.02 0.1911 1
Giardia lamblia Protein 21.1 0.001 0 0.5
Giardia lamblia Protein 21.1 0.001 0 0.5
Giardia lamblia Protein 21.1 0.001 0 0.5
Echinococcus multilocularis SWI:SNF matrix associated 0.0563 0.5557 0.5557
Giardia lamblia Protein 21.1 0.001 0 0.5
Giardia lamblia Protein 21.1 0.001 0 0.5
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0563 0.5557 1
Brugia malayi brahma associated protein 60 kDa 0.0563 0.5557 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.02 0.1911 0.3438
Loa Loa (eye worm) hypothetical protein 0.0147 0.1376 0.2477
Schistosoma mansoni hypothetical protein 0.0563 0.5557 1
Giardia lamblia Kinase, NEK 0.001 0 0.5
Onchocerca volvulus 0.0147 0.1376 0.2477
Giardia lamblia Protein 21.1 0.001 0 0.5
Echinococcus granulosus zinc finger protein Ran binding 0.02 0.1911 0.1911
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0563 0.5557 1
Giardia lamblia Hypothetical protein 0.001 0 0.5
Giardia lamblia Protein 21.1 0.001 0 0.5
Leishmania major hypothetical protein, conserved 0.02 0.1911 1
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0563 0.5557 1
Giardia lamblia Zinc finger domain 0.001 0 0.5
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.02 0.1911 0.3438
Schistosoma mansoni hypothetical protein 0.0563 0.5557 1
Echinococcus granulosus voltage gated potassium channel 0.0011 0.0005 0.0005
Entamoeba histolytica hypothetical protein 0.001 0 0.5
Giardia lamblia Protein 21.1 0.001 0 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0012 0.0018 0.0096
Schistosoma mansoni hypothetical protein 0.0563 0.5557 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.02 0.1911 1
Trypanosoma brucei cytochrome P450, putative 0.0012 0.0018 0.0096
Echinococcus granulosus Zinc finger RanBP2 type 0.02 0.1911 0.1911
Giardia lamblia Protein 21.1 0.001 0 0.5
Plasmodium falciparum zinc finger Ran-binding domain-containing protein 2, putative 0.02 0.1911 0.3438
Giardia lamblia Protein 21.1 0.001 0 0.5
Giardia lamblia Zinc finger domain 0.001 0 0.5
Loa Loa (eye worm) hypothetical protein 0.02 0.1911 0.3438
Giardia lamblia Protein 21.1 0.001 0 0.5
Toxoplasma gondii ran binding protein 0.02 0.1911 0.3438
Trypanosoma cruzi WLM domain containing protein, putative 0.02 0.1911 1
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.02 0.1911 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0037 0.027 0.027
Giardia lamblia Protein 21.1 0.001 0 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0011 0.0005 0.001
Giardia lamblia Ser/Thr protein kinase 0.001 0 0.5
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0037 0.027 0.0486
Echinococcus multilocularis voltage gated potassium channel 0.0011 0.0005 0.0005
Giardia lamblia Hypothetical protein 0.001 0 0.5
Giardia lamblia Kinase, NEK 0.001 0 0.5
Brugia malayi YY1-associated factor 2 0.02 0.1911 0.3438
Schistosoma mansoni zinc finger protein 0.02 0.1911 0.3438
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0037 0.027 0.027
Trypanosoma cruzi hypothetical protein, conserved 0.02 0.1911 1
Loa Loa (eye worm) hypothetical protein 0.02 0.1911 0.3438

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.

External resources for this compound

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.