Detailed information for compound 1833211

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 378.448 | Formula: C20H18N4O2S
  • H donors: 1 H acceptors: 3 LogP: 4.28 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1c(NC(=O)c2cccc(c2)OCn2cccn2)sc2c1CCCC2
  • InChi: 1S/C20H18N4O2S/c21-12-17-16-7-1-2-8-18(16)27-20(17)23-19(25)14-5-3-6-15(11-14)26-13-24-10-4-9-22-24/h3-6,9-11H,1-2,7-8,13H2,(H,23,25)
  • InChiKey: LWSJKPADTYMDBY-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
Loa Loa (eye worm) brahma associated protein 0.0473 0.4656 1
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0473 0.4656 1
Trichomonas vaginalis conserved hypothetical protein 0.0473 0.4656 1
Brugia malayi brahma associated protein 60 kDa 0.0473 0.4656 1
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0168 0.1601 1
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0168 0.1601 1
Plasmodium vivax hypothetical protein, conserved 0.0473 0.4656 0.5
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0473 0.4656 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0473 0.4656 0.4644
Trypanosoma cruzi hypothetical protein, conserved 0.0168 0.1601 1
Loa Loa (eye worm) hypothetical protein 0.0168 0.1601 0.3438
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0168 0.1601 1
Loa Loa (eye worm) hypothetical protein 0.0168 0.1601 0.3438
Onchocerca volvulus 0.0168 0.1601 0.0645
Onchocerca volvulus 0.0168 0.1601 0.0645
Trypanosoma cruzi hypothetical protein, conserved 0.0168 0.1601 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0022 0.0047
Schistosoma mansoni hypothetical protein 0.0473 0.4656 1
Echinococcus granulosus Zinc finger RanBP2 type 0.0168 0.1601 0.1582
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0168 0.1601 0.3407
Schistosoma mansoni RNA binding protein 0.0168 0.1601 0.3407
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0037 0.0286 0.0614
Loa Loa (eye worm) hypothetical protein 0.0147 0.139 0.2986
Echinococcus granulosus SWI:SNF matrix associated 0.0473 0.4656 0.4644
Onchocerca volvulus 0.0168 0.1601 0.0645
Echinococcus multilocularis SWI:SNF matrix associated 0.0473 0.4656 0.4644
Schistosoma mansoni brg-1 associated factor 0.0473 0.4656 1
Schistosoma mansoni cellular tumor antigen P53 0.0147 0.139 0.2953
Trypanosoma cruzi WLM domain containing protein, putative 0.0168 0.1601 1
Schistosoma mansoni zinc finger protein 0.0168 0.1601 0.3407
Echinococcus multilocularis zinc finger protein Ran binding 0.0168 0.1601 0.1582
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0037 0.0286 0.0265
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0168 0.1601 1
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0473 0.4656 1
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0473 0.4656 0.5
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0168 0.1601 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0168 0.1601 0.3407
Schistosoma mansoni fusion 0.0168 0.1601 0.3407
Loa Loa (eye worm) hypothetical protein 0.0168 0.1601 0.3438
Schistosoma mansoni hypothetical protein 0.0473 0.4656 1
Echinococcus multilocularis Nuclear pore complex protein Nup153 0.0168 0.1601 0.1582
Leishmania major hypothetical protein, conserved 0.0168 0.1601 1
Schistosoma mansoni voltage-gated potassium channel 0.004 0.032 0.0644
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0037 0.0286 0.057
Echinococcus granulosus Nuclear pore complex protein Nup153 0.0168 0.1601 0.1582
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0473 0.4656 1
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0473 0.4656 0.4644
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0037 0.0286 0.0265
Onchocerca volvulus 0.0168 0.1601 0.0645
Leishmania major hypothetical protein, conserved 0.0168 0.1601 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0168 0.1601 0.3407
Brugia malayi brahma associated protein 60 kDa 0.0473 0.4656 1
Chlamydia trachomatis DNA topoisomerase I 0.0473 0.4656 0.5
Onchocerca volvulus 0.0473 0.4656 1
Brugia malayi Cytochrome P450 family protein 0.0012 0.0035 0.0028
Loa Loa (eye worm) CYP4Cod1 0.0012 0.0035 0.0074
Loa Loa (eye worm) cytochrome P450 family protein 0.0012 0.0035 0.0074
Trypanosoma cruzi WLM domain containing protein, putative 0.0168 0.1601 1
Chlamydia trachomatis SWIB complex protein 0.0473 0.4656 0.5
Brugia malayi SWIB/MDM2 domain containing protein 0.0473 0.4656 1
Onchocerca volvulus Ubiquitin thioesterase ZRANB1 homolog 0.0168 0.1601 0.0645
Echinococcus multilocularis Zinc finger, RanBP2 type 0.0168 0.1601 0.1582
Schistosoma mansoni hypothetical protein 0.0473 0.4656 1
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0473 0.4656 0.4644
Schistosoma mansoni TRABID protein (C64 family) 0.0168 0.1601 0.3407
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0473 0.4656 1
Leishmania major hypothetical protein, conserved 0.0168 0.1601 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0012 0.0035 0.5
Echinococcus multilocularis SWI:SNF matrix associated 0.0473 0.4656 0.4644
Leishmania major hypothetical protein, conserved 0.0168 0.1601 1
Brugia malayi YY1-associated factor 2 0.0168 0.1601 0.3407
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0168 0.1601 0.3407
Loa Loa (eye worm) hypothetical protein 0.0168 0.1601 0.3438
Brugia malayi Cytochrome P450 family protein 0.0012 0.0035 0.0028
Echinococcus granulosus ring and YY1 binding protein 0.0168 0.1601 0.1582
Trypanosoma brucei hypothetical protein, conserved 0.0168 0.1601 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0168 0.1601 1
Schistosoma mansoni hypothetical protein 0.0168 0.1601 0.3407
Leishmania major hypothetical protein, conserved 0.0168 0.1601 1
Loa Loa (eye worm) hypothetical protein 0.0168 0.1601 0.3438
Trypanosoma cruzi hypothetical protein, conserved 0.0168 0.1601 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0237 0.0509
Echinococcus multilocularis ring and YY1 binding protein 0.0168 0.1601 0.1582
Echinococcus granulosus zinc finger protein Ran binding 0.0168 0.1601 0.1582
Loa Loa (eye worm) cytochrome P450 family protein 0.0012 0.0035 0.0074
Trypanosoma brucei hypothetical protein, conserved 0.0168 0.1601 1
Schistosoma mansoni voltage-gated potassium channel 0.004 0.032 0.0644
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0168 0.1601 1

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 89 % Inhibition of Streptococcus pneumoniae MurF ligase using D-Ala-D-Ala as substrate assessed as residual activity at 100 uM after 15 mins by malachite green assay ChEMBL. 24384549

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.

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