Detailed information for compound 1261053

Basic information

Technical information
  • TDR Targets ID: 1261053
  • Name: 3-chloro-N-(4-chlorophenyl)-2-(pyridin-4-ylme thylsulfanyl)benzamide
  • MW: 389.298 | Formula: C19H14Cl2N2OS
  • H donors: 1 H acceptors: 2 LogP: 4.95 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)NC(=O)c1cccc(c1SCc1ccncc1)Cl
  • InChi: 1S/C19H14Cl2N2OS/c20-14-4-6-15(7-5-14)23-19(24)16-2-1-3-17(21)18(16)25-12-13-8-10-22-11-9-13/h1-11H,12H2,(H,23,24)
  • InChiKey: GZHDITFFBBZRHB-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 3-chloro-N-(4-chlorophenyl)-2-(4-pyridylmethylsulfanyl)benzamide
  • 3-chloro-N-(4-chlorophenyl)-2-(4-pyridylmethylthio)benzamide

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 SWI:SNF matrix associated 0.0054 1 1
Schistosoma mansoni brg-1 associated factor 0.0054 1 1
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0054 1 1
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0054 1 1
Leishmania major hypothetical protein, conserved 0.0019 0.09 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0054 1 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0016 0 0.5
Loa Loa (eye worm) brahma associated protein 0.0054 1 1
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0054 1 1
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0054 1 1
Plasmodium vivax hypothetical protein, conserved 0.0054 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.09 0.09
Schistosoma mansoni hypothetical protein 0.0054 1 1
Echinococcus granulosus SWI:SNF matrix associated 0.0054 1 1
Chlamydia trachomatis SWIB complex protein 0.0054 1 0.5
Brugia malayi YY1-associated factor 2 0.0019 0.09 0.09
Trypanosoma cruzi hypothetical protein, conserved 0.0019 0.09 1
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0019 0.09 1
Chlamydia trachomatis DNA topoisomerase I 0.0054 1 0.5
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0054 1 0.5
Trypanosoma cruzi WLM domain containing protein, putative 0.0019 0.09 1
Trypanosoma cruzi hypothetical protein, conserved 0.0019 0.09 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0019 0.09 1
Trypanosoma cruzi hypothetical protein, conserved 0.0019 0.09 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.4749 0.4749
Loa Loa (eye worm) hypothetical protein 0.0019 0.09 0.09
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0054 1 1
Leishmania major hypothetical protein, conserved 0.0019 0.09 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.09 0.09
Loa Loa (eye worm) hypothetical protein 0.0019 0.09 0.09
Onchocerca volvulus 0.0054 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.8856 0.8856
Echinococcus multilocularis SWI:SNF matrix associated 0.0054 1 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.09 0.09
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0019 0.09 1
Leishmania major hypothetical protein, conserved 0.0019 0.09 1
Trypanosoma brucei hypothetical protein, conserved 0.0019 0.09 1
Leishmania major hypothetical protein, conserved 0.0019 0.09 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0019 0.09 0.09
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.4749 0.4749
Brugia malayi SWIB/MDM2 domain containing protein 0.0054 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.8856 0.8856
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0019 0.09 0.09
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0019 0.09 1
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0054 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0054 1 0.5
Schistosoma mansoni hypothetical protein 0.0054 1 1
Schistosoma mansoni hypothetical protein 0.0034 0.4749 0.423
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0019 0.09 1
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0019 0.09 1
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0054 1 1
Loa Loa (eye worm) hypothetical protein 0.005 0.8856 0.8856
Leishmania major hypothetical protein, conserved 0.0019 0.09 1
Schistosoma mansoni hypothetical protein 0.0054 1 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0019 0.09 0.09
Brugia malayi brahma associated protein 60 kDa 0.0054 1 1
Trypanosoma brucei hypothetical protein, conserved 0.0019 0.09 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.8856 0.8856
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0019 0.09 1
Trypanosoma cruzi WLM domain containing protein, putative 0.0019 0.09 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0019 0.09 0.09

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 2000 nM Inhibition of VEGF-induced HUVEC proliferation treated 1 hr before VEGF challenge measured 3 days by WST-8 assay ChEMBL. 21074435

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 21074435

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.