Detailed information for compound 1823393

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 421.515 | Formula: C22H23N5O2S
  • H donors: 0 H acceptors: 1 LogP: 4.76 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCn1c(SCCOCC#C)nc2c(c1=O)C(C)(C)Cc1c2cc(N=[N+]=[N-])cc1
  • InChi: 1S/C22H23N5O2S/c1-5-9-27-20(28)18-19(24-21(27)30-12-11-29-10-6-2)17-13-16(25-26-23)8-7-15(17)14-22(18,3)4/h2,5,7-8,13H,1,9-12,14H2,3-4H3
  • InChiKey: YYLJUVJJIVUREP-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
Streptococcus pyogenes Streptokinase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Entamoeba histolytica transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Toxoplasma gondii NAC domain-containing protein Get druggable targets OG5_127333 All targets in OG5_127333
Loa Loa (eye worm) ICD-1 protein Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium vivax basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania major basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium falciparum basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus multilocularis transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Babesia bovis NAC domain containing protein Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma japonicum ko:K01527 nascent polypeptide-associated complex subunit beta, putative Get druggable targets OG5_127333 All targets in OG5_127333
Theileria parva transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma cruzi transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma brucei transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium berghei transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Neospora caninum hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma mansoni transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania infantum basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Brugia malayi beta-NAC-like protein Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania donovani transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Candida albicans similar to S. cerevisiae GAL4 enhancer protein EGD1 (YPL037C) subunit alpha of the nascent polypeptide-associated chaperone comp Get druggable targets OG5_127333 All targets in OG5_127333
Candida albicans similar to S. cerevisiae GAL4 enhancer protein EGD1 (YPL037C) subunit alpha of the nascent polypeptide-associated chaperone comp Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma cruzi transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium knowlesi basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium yoelii basic transcription factor 3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma brucei gambiense nascent polypeptide associated complex alpha subunit, putative Get druggable targets OG5_127333 All targets in OG5_127333
Cryptosporidium parvum BTF domain, basal transcription factor Get druggable targets OG5_127333 All targets in OG5_127333
Cryptosporidium hominis NAC domain protein Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania mexicana basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus granulosus transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania braziliensis basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333

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
Brugia malayi Trypsin family protein 0.0301 0.5 0.5
Echinococcus granulosus enteropeptidase 0.0301 0.5 0.5
Onchocerca volvulus 0.0301 0.5 0.5
Echinococcus multilocularis enteropeptidase 0.0301 0.5 0.5
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0301 0.5 0.5
Schistosoma mansoni cercarial elastase (S01 family) 0.0301 0.5 0.5
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0301 0.5 0.5
Schistosoma mansoni cercarial elastase (S01 family) 0.0301 0.5 0.5
Schistosoma mansoni cercarial elastase (S01 family) 0.0301 0.5 0.5
Onchocerca volvulus 0.0301 0.5 0.5
Onchocerca volvulus 0.0301 0.5 0.5
Echinococcus multilocularis Mastin 0.0301 0.5 0.5
Schistosoma mansoni cercarial elastase (S01 family) 0.0301 0.5 0.5
Loa Loa (eye worm) trypsin family protein 0.0301 0.5 0.5
Brugia malayi Trypsin family protein 0.0301 0.5 0.5
Echinococcus granulosus glycoprotein Antigen 5 0.0301 0.5 0.5
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0301 0.5 0.5
Echinococcus multilocularis transmembrane protease serine 3 0.0301 0.5 0.5
Schistosoma mansoni cercarial elastase (S01 family) 0.0301 0.5 0.5
Onchocerca volvulus 0.0301 0.5 0.5
Echinococcus multilocularis glycoprotein Antigen 5 0.0301 0.5 0.5
Brugia malayi hypothetical protein 0.0301 0.5 0.5
Brugia malayi Trypsin family protein 0.0301 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0301 0.5 0.5
Echinococcus granulosus transmembrane protease serine 3 0.0301 0.5 0.5
Onchocerca volvulus 0.0301 0.5 0.5
Brugia malayi Trypsin-like protease protein 5 0.0301 0.5 0.5
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0301 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0301 0.5 0.5
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0301 0.5 0.5
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0301 0.5 0.5
Mycobacterium ulcerans hypothetical protein 0.0301 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0301 0.5 0.5
Schistosoma mansoni cercarial elastase (S01 family) 0.0301 0.5 0.5
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0301 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0301 0.5 0.5
Echinococcus granulosus Mastin 0.0301 0.5 0.5
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0301 0.5 0.5
Schistosoma mansoni cercarial elastase (S01 family) 0.0301 0.5 0.5
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0301 0.5 0.5
Schistosoma mansoni cercarial elastase (S01 family) 0.0301 0.5 0.5
Schistosoma mansoni hypothetical protein 0.0301 0.5 0.5
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0301 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0301 0.5 0.5
Schistosoma mansoni cercarial elastase (S01 family) 0.0301 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0301 0.5 0.5
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0301 0.5 0.5
Onchocerca volvulus 0.0301 0.5 0.5
Schistosoma mansoni hypothetical protein 0.0301 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0301 0.5 0.5
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0301 0.5 0.5
Schistosoma mansoni cercarial elastase (S01 family) 0.0301 0.5 0.5
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0301 0.5 0.5
Schistosoma mansoni cercarial elastase (S01 family) 0.0301 0.5 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.19 uM Inhibition of Streptococcus pyogenes UMAA2616 streptokinase assessed as plasmin activity in human plasma after 24 hrs by colorimetric analysis ChEMBL. 24559768
T/C (binding) = 0.3 Inhibition of Streptococcus pyogenes UMAA2616 streptokinase assessed as plasmin activity in human plasma at 5 uM after 24 hrs by colorimetric analysis relative to control ChEMBL. 24559768

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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