Detailed information for compound 1738803

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 578.557 | Formula: C24H21Cl2N5O2S3
  • H donors: 1 H acceptors: 3 LogP: 6.34 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: Clc1ccc(cc1)c1csc(n1)N1N=C(CC1c1ccc(cc1)N(C)C)c1cc(sc1S(=O)(=O)N)Cl
  • InChi: 1S/C24H21Cl2N5O2S3/c1-30(2)17-9-5-15(6-10-17)21-12-19(18-11-22(26)35-23(18)36(27,32)33)29-31(21)24-28-20(13-34-24)14-3-7-16(25)8-4-14/h3-11,13,21H,12H2,1-2H3,(H2,27,32,33)
  • InChiKey: ZURKKZUBCSLQKP-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Xanthine dehydrogenase/oxidase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (large chain) Get druggable targets OG5_127252 All targets in OG5_127252
Mycobacterium ulcerans carbon monoxide dehydrogenase Get druggable targets OG5_127252 All targets in OG5_127252
Trichomonas vaginalis xanthine dehydrogenase, putative Get druggable targets OG5_127252 All targets in OG5_127252
Mycobacterium ulcerans carbon monoxyde dehydrogenase large chain CoxL Get druggable targets OG5_127252 All targets in OG5_127252
Trichomonas vaginalis xanthine dehydrogenase, putative Get druggable targets OG5_127252 All targets in OG5_127252
Trichomonas vaginalis aldehyde oxidase, putative Get druggable targets OG5_127252 All targets in OG5_127252
Mycobacterium ulcerans aerobic-type carbon monoxide dehydrogenase subunit CoxL_2 Get druggable targets OG5_127252 All targets in OG5_127252

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 granulosus SH2 motif 0.0162 0.472 0.3108
Loa Loa (eye worm) hypothetical protein 0.0162 0.472 0.3108
Echinococcus granulosus tyrosine protein kinase Fps85D 0.0273 1 1
Loa Loa (eye worm) TK/FER protein kinase 0.0273 1 1
Brugia malayi Variant SH3 domain containing protein 0.0162 0.472 0.3108
Loa Loa (eye worm) hypothetical protein 0.0162 0.472 0.3108
Onchocerca volvulus 0.0273 1 1
Toxoplasma gondii protein kinase 0.0111 0.2339 0.5
Echinococcus granulosus tyrosine protein kinase Fyn 0.0273 1 1
Echinococcus multilocularis growth factor receptor bound protein 2 0.0162 0.472 0.3108
Echinococcus multilocularis SH2 motif 0.0162 0.472 0.3108
Schistosoma mansoni tensin-related 0.0162 0.472 0.3108
Echinococcus granulosus growth factor receptor bound protein 2 0.0162 0.472 0.3108
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0162 0.472 0.3108
Loa Loa (eye worm) SH2 domain-containing protein 0.0162 0.472 0.3108
Loa Loa (eye worm) TK/FER protein kinase 0.0273 1 1
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0162 0.472 0.3108
Echinococcus granulosus tyrosine protein kinase Fyn 0.0273 1 1
Schistosoma mansoni protein tyrosine phosphatase n11 (shp2) 0.0162 0.472 0.3108
Brugia malayi hypothetical protein 0.0273 1 1
Loa Loa (eye worm) SRC-1 0.0273 1 1
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0162 0.472 0.3108
Echinococcus granulosus tyrosine protein kinase Src42A 0.0162 0.472 0.3108
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0273 1 1
Brugia malayi STAT protein, DNA binding domain containing protein 0.0162 0.472 0.3108
Echinococcus granulosus tyrosine protein kinase Fyn 0.0273 1 1
Trichomonas vaginalis xanthine dehydrogenase, putative 0.0209 0.6981 1
Echinococcus multilocularis tensin 0.0162 0.472 0.3108
Echinococcus multilocularis SH2 domain containing protein 7 0.0162 0.472 0.3108
Echinococcus multilocularis N chimaerin 0.0162 0.472 0.3108
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0162 0.472 0.3108
Plasmodium vivax tyrosine kinase-like protein, putative 0.0111 0.2339 0.5
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0162 0.472 0.3108
Loa Loa (eye worm) hypothetical protein 0.0162 0.472 0.3108
Schistosoma mansoni suppressor of cytokine signaling 0.0162 0.472 0.3108
Echinococcus multilocularis tyrosine protein kinase Blk 0.0273 1 1
Onchocerca volvulus 0.0273 1 1
Echinococcus multilocularis 0.0162 0.472 0.3108
Brugia malayi cytokine inducible SH2-containing protein 5 0.0162 0.472 0.3108
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0273 1 1
Echinococcus multilocularis tyrosine protein kinase Abl 0.0273 1 1
Loa Loa (eye worm) hypothetical protein 0.0162 0.472 0.3108
Schistosoma mansoni tensin-related 0.0162 0.472 0.3108
Schistosoma mansoni shc transforming protein 0.0162 0.472 0.3108
Brugia malayi SH2 domain containing protein 0.0162 0.472 0.3108
Loa Loa (eye worm) TK/FER protein kinase 0.0273 1 1
Echinococcus granulosus tyrosine protein kinase shark 0.0273 1 1
Giardia lamblia Kinase 0.0111 0.2339 0.5
Loa Loa (eye worm) hypothetical protein 0.0162 0.472 0.3108
Schistosoma mansoni growth factor receptor-bound protein 0.0162 0.472 0.3108
Loa Loa (eye worm) hypothetical protein 0.0162 0.472 0.3108
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0162 0.472 0.3108
Schistosoma mansoni tyrosine kinase 0.0273 1 1
Loa Loa (eye worm) hypothetical protein 0.0273 1 1
Echinococcus granulosus c src tyrosine kinase 0.0273 1 1
Entamoeba histolytica SH2 domain containing protein 0.0162 0.472 0.3108
Echinococcus multilocularis suppressor of cytokine signaling 7 0.0162 0.472 0.3108
Trypanosoma brucei STE/STE11 serine/threonine-protein kinase, putative 0.0111 0.2339 0.5
Brugia malayi Variant SH3 domain containing protein 0.0162 0.472 0.3108
Echinococcus multilocularis tyrosine protein kinase Srms 0.0273 1 1
Loa Loa (eye worm) TK/FER protein kinase 0.0273 1 1
Brugia malayi SH2 domain containing protein 0.0162 0.472 0.3108
Echinococcus multilocularis tyrosine kinase 0.0273 1 1
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0162 0.472 0.3108
Loa Loa (eye worm) TK/ABL protein kinase 0.0273 1 1
Echinococcus multilocularis phosphatidylinositol 3 kinase regulatory subunit 0.0162 0.472 0.3108
Brugia malayi SH2 domain containing protein 0.0162 0.472 0.3108
Echinococcus multilocularis suppressor of cytokine signaling 6 0.0162 0.472 0.3108
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0273 1 1
Echinococcus multilocularis suppressor of cytokine signaling 7 0.0162 0.472 0.3108
Schistosoma mansoni tensin 0.0162 0.472 0.3108
Schistosoma mansoni vav2 0.0162 0.472 0.3108
Trypanosoma brucei protein kinase, putative 0.0111 0.2339 0.5
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0273 1 1
Onchocerca volvulus 0.0162 0.472 0.3108
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0162 0.472 0.3108
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0273 1 1
Onchocerca volvulus 0.0162 0.472 0.3108
Echinococcus granulosus tyrosine protein kinase Src42A 0.0273 1 1
Brugia malayi Protein kinase domain containing protein 0.0273 1 1
Schistosoma mansoni tyrosine kinase 0.0273 1 1
Trypanosoma brucei Pseudokinase, putative 0.0111 0.2339 0.5
Brugia malayi Sex muscle abnormal protein 5 0.0162 0.472 0.3108
Loa Loa (eye worm) TK/FER protein kinase 0.0273 1 1
Loa Loa (eye worm) TK/FER protein kinase 0.0273 1 1
Schistosoma mansoni signal transduction protein lnk-related 0.0162 0.472 0.3108
Brugia malayi SH2 domain containing protein 0.0162 0.472 0.3108
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0111 0.2339 0.5
Schistosoma mansoni suppressor of cytokine signaling 0.0162 0.472 0.3108
Plasmodium vivax protein kinase, putative 0.0111 0.2339 0.5
Loa Loa (eye worm) hypothetical protein 0.0162 0.472 0.3108
Echinococcus multilocularis NCK adaptor protein 0.0162 0.472 0.3108
Schistosoma mansoni hypothetical protein 0.0162 0.472 0.3108
Echinococcus granulosus tensin 0.0162 0.472 0.3108
Giardia lamblia Protein 21.1 0.0111 0.2339 0.5
Schistosoma mansoni tensin 0.0162 0.472 0.3108
Echinococcus granulosus suppressor of cytokine signaling 6 0.0162 0.472 0.3108
Brugia malayi SH2 domain containing protein 0.0162 0.472 0.3108
Brugia malayi SH2 domain containing protein 0.0162 0.472 0.3108
Echinococcus granulosus tyrosine protein kinase Blk 0.0273 1 1
Loa Loa (eye worm) TK/FER protein kinase 0.0273 1 1
Echinococcus granulosus tyrosine protein kinase ABL1 0.0273 1 1
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0273 1 1
Onchocerca volvulus Suppressor of cytokine signaling at 36E homolog 0.0162 0.472 0.3108
Echinococcus multilocularis tensin 0.0162 0.472 0.3108
Loa Loa (eye worm) hypothetical protein 0.0162 0.472 0.3108
Schistosoma mansoni tyrosine kinase 0.0273 1 1
Brugia malayi tRNA modification GTPase TrmE family protein 0.0162 0.472 0.3108
Brugia malayi Protein kinase domain containing protein 0.0273 1 1
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0111 0.2339 0.5
Schistosoma mansoni SH2A 0.0162 0.472 0.3108
Echinococcus multilocularis guanine nucleotide exchange factor VAV2 0.0162 0.472 0.3108
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0162 0.472 0.3108
Trypanosoma cruzi protein kinase, putative 0.0111 0.2339 0.5
Echinococcus granulosus NCK adaptor protein 0.0162 0.472 0.3108
Mycobacterium ulcerans aerobic-type carbon monoxide dehydrogenase subunit CoxL_2 0.0099 0.1737 0.4783
Toxoplasma gondii protein kinase domain-containing protein 0.0111 0.2339 0.5
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0273 1 1
Echinococcus granulosus SH2 domain containing adapter protein F 0.0162 0.472 0.3108
Brugia malayi SH2 domain containing protein 0.0273 1 1
Loa Loa (eye worm) hypothetical protein 0.0162 0.472 0.3108
Trypanosoma brucei AGC/RSK family serine/threonine kinase, putative 0.0111 0.2339 0.5
Echinococcus granulosus signal transduction protein lnk realted 0.0162 0.472 0.3108
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0273 1 1
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (large chain) 0.0099 0.1737 1
Brugia malayi Tyrosine-protein kinase abl-1 0.0273 1 1
Trichomonas vaginalis aldehyde oxidase, putative 0.0209 0.6981 1
Entamoeba histolytica protein kinase, putative 0.0162 0.472 0.3108
Onchocerca volvulus 0.0162 0.472 0.3108
Echinococcus multilocularis signal transduction protein lnk realted 0.0162 0.472 0.3108
Schistosoma mansoni tyrosine kinase 0.0273 1 1
Loa Loa (eye worm) hypothetical protein 0.0162 0.472 0.3108
Schistosoma mansoni adapter molecule crk 0.0162 0.472 0.3108
Loa Loa (eye worm) hypothetical protein 0.0162 0.472 0.3108
Brugia malayi hypothetical protein 0.0162 0.472 0.3108
Onchocerca volvulus 0.0273 1 1
Schistosoma mansoni growth factor receptor-bound protein 0.0162 0.472 0.3108
Echinococcus granulosus guanine nucleotide exchange factor VAV2 0.0162 0.472 0.3108
Schistosoma mansoni tyrosine kinase 0.0273 1 1
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0273 1 1
Leishmania major hypothetical protein, conserved 0.0111 0.2339 0.5
Trypanosoma cruzi protein kinase, putative 0.0111 0.2339 0.5
Echinococcus granulosus tyrosine kinase 0.0273 1 1
Loa Loa (eye worm) SH2 domain-containing protein 0.0162 0.472 0.3108
Loa Loa (eye worm) hypothetical protein 0.0162 0.472 0.3108
Toxoplasma gondii Tyrosine kinase-like (TKL) protein 0.0111 0.2339 0.5
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0162 0.472 0.3108
Echinococcus granulosus SHC transforming protein 3 0.0162 0.472 0.3108
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0273 1 1
Toxoplasma gondii Tyrosine kinase-like (TKL) protein 0.0111 0.2339 0.5
Echinococcus granulosus N chimaerin 0.0162 0.472 0.3108
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0162 0.472 0.3108
Plasmodium falciparum tyrosine kinase-like protein 0.0111 0.2339 0.5
Toxoplasma gondii STE kinase 0.0111 0.2339 0.5
Onchocerca volvulus 0.0273 1 1
Giardia lamblia Kinase, NEK 0.0111 0.2339 0.5
Mycobacterium ulcerans carbon monoxyde dehydrogenase large chain CoxL 0.0099 0.1737 0.4783
Echinococcus granulosus phosphatidylinositol 3 kinase regulatory subunit 0.0162 0.472 0.3108
Loa Loa (eye worm) SH2 domain-containing protein 0.0162 0.472 0.3108
Brugia malayi SRC-1 0.0273 1 1
Brugia malayi RhoGAP domain containing protein 0.0162 0.472 0.3108
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0273 1 1
Leishmania major protein kinase, putative 0.0111 0.2339 0.5
Toxoplasma gondii calcium dependent protein kinase CDPK8 0.0111 0.2339 0.5
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0162 0.472 0.3108
Giardia lamblia Kinase, NEK 0.0111 0.2339 0.5
Echinococcus granulosus tyrosine protein kinase Src64B 0.0273 1 1
Loa Loa (eye worm) RhoGAP domain-containing protein 0.0162 0.472 0.3108
Loa Loa (eye worm) hypothetical protein 0.0162 0.472 0.3108
Onchocerca volvulus 0.0162 0.472 0.3108
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0273 1 1
Brugia malayi protein-tyrosine kinase 0.0273 1 1
Echinococcus granulosus suppressor of cytokine signaling 7 0.0162 0.472 0.3108
Loa Loa (eye worm) TK/FER protein kinase 0.0273 1 1
Trypanosoma brucei Flagellum attachment zone protein 20 0.0111 0.2339 0.5
Echinococcus granulosus hypothetical protein 0.0162 0.472 0.3108
Echinococcus multilocularis SH2 motif 0.0162 0.472 0.3108
Onchocerca volvulus 0.0162 0.472 0.3108
Loa Loa (eye worm) hypothetical protein 0.0162 0.472 0.3108
Brugia malayi Tensin 0.0162 0.472 0.3108
Onchocerca volvulus Suppressor of cytokine signaling 7 homolog 0.0162 0.472 0.3108
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0273 1 1
Echinococcus granulosus SH2 domain containing protein 7 0.0162 0.472 0.3108
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0273 1 1
Onchocerca volvulus 0.0273 1 1
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0162 0.472 0.3108
Echinococcus granulosus tyrosine kinase 0.0273 1 1
Plasmodium falciparum protein kinase, putative 0.0111 0.2339 0.5
Brugia malayi Protein kinase domain containing protein 0.0273 1 1
Loa Loa (eye worm) cytokine inducible SH2-containing protein 5 0.0162 0.472 0.3108
Schistosoma mansoni nck2/grb4 0.0162 0.472 0.3108
Trichomonas vaginalis xanthine dehydrogenase, putative 0.0209 0.6981 1
Schistosoma mansoni tyrosine-protein kinase zap-70 0.0162 0.472 0.3108
Brugia malayi SH2 domain containing protein 0.0273 1 1
Loa Loa (eye worm) hypothetical protein 0.0162 0.472 0.3108
Plasmodium falciparum protein kinase, putative 0.0111 0.2339 0.5
Loa Loa (eye worm) TK/FER protein kinase 0.0273 1 1
Brugia malayi Protein kinase domain containing protein 0.0273 1 1
Echinococcus multilocularis c src tyrosine kinase 0.0273 1 1
Echinococcus granulosus expressed conserved protein 0.0162 0.472 0.3108
Plasmodium vivax tyrosine kinase-like protein, putative 0.0111 0.2339 0.5
Leishmania major protein kinase, putative 0.0111 0.2339 0.5
Plasmodium falciparum tyrosine kinase-like protein 0.0111 0.2339 0.5
Loa Loa (eye worm) TK/FER protein kinase 0.0273 1 1
Echinococcus granulosus SH2 motif 0.0162 0.472 0.3108
Echinococcus granulosus tyrosine protein kinase Srms 0.0273 1 1
Echinococcus multilocularis tyrosine protein kinase shark 0.0273 1 1
Schistosoma mansoni tyrosine kinase 0.0273 1 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0273 1 1
Onchocerca volvulus 0.0162 0.472 0.3108
Loa Loa (eye worm) TK protein kinase 0.0273 1 1
Loa Loa (eye worm) STAT protein 0.0162 0.472 0.3108
Onchocerca volvulus 0.0273 1 1
Plasmodium falciparum protein kinase, putative 0.0111 0.2339 0.5
Echinococcus granulosus tyrosine protein kinase Lyn 0.0273 1 1
Echinococcus multilocularis tyrosine protein kinase Fps85D 0.0273 1 1
Mycobacterium ulcerans carbon monoxyde dehydrogenase medium chain CoxM 0.0071 0.0409 0.1125
Brugia malayi Variant SH3 domain containing protein 0.0162 0.472 0.3108
Echinococcus multilocularis SH2 domain containing adapter protein F 0.0162 0.472 0.3108
Echinococcus multilocularis SHC transforming protein 3 0.0162 0.472 0.3108
Mycobacterium ulcerans aerobic-type carbon monoxide dehydrogenase subunit CoxM_2 0.0071 0.0409 0.1125
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0273 1 1
Schistosoma mansoni GTPase activating protein 0.0162 0.472 0.3108
Echinococcus multilocularis SH2 motif 0.0162 0.472 0.3108
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0273 1 1
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0273 1 1
Brugia malayi SH2 domain containing protein 0.0162 0.472 0.3108
Echinococcus granulosus tensin C1 domain containing phosphatase 0.0162 0.472 0.3108
Brugia malayi Variant SH3 domain containing protein 0.0162 0.472 0.3108
Schistosoma mansoni hypothetical protein 0.0162 0.472 0.3108
Schistosoma mansoni tensin 0.0162 0.472 0.3108
Mycobacterium ulcerans carbon monoxide dehydrogenase 0.0139 0.3631 1
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0162 0.472 0.3108

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 8.3 uM Inhibition of Wistar albino rat xanthine oxidase isolated from liver using xanthine as substrate incubated for 15 mins prior to substrate addition by spectrophotometric analysis ChEMBL. 23177727

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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