Detailed information for compound 623429

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 485.514 | Formula: C25H19N5O4S
  • H donors: 2 H acceptors: 6 LogP: 4.92 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1)[N+](=O)[O-])CSc1nc2c3ccccc3nc2c(n1c1ccc(cc1)C)O
  • InChi: 1S/C25H19N5O4S/c1-15-6-10-17(11-7-15)29-24(32)23-22(19-4-2-3-5-20(19)27-23)28-25(29)35-14-21(31)26-16-8-12-18(13-9-16)30(33)34/h2-13,32H,14H2,1H3,(H,26,31)
  • InChiKey: LBZMQIHBMAMJSN-UHFFFAOYSA-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
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.1213 0.1885
Trypanosoma brucei CAAX amino terminal protease, putative 0.0089 0.2816 1
Entamoeba histolytica pantothenate kinase 1, putative 0.0082 0.2535 0.9002
Loa Loa (eye worm) hypothetical protein 0.0268 1 1
Brugia malayi hypothetical protein 0.0036 0.0692 0.056
Loa Loa (eye worm) pantothenate kinase 0.0082 0.2535 0.2429
Brugia malayi hypothetical protein 0.0055 0.1474 0.1353
Giardia lamblia Kinase, CMGC MAPK 0.0058 0.1568 0.5335
Schistosoma mansoni serine/threonine protein kinase 0.0058 0.1568 0.2509
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0052 0.134 0.1216
Trichomonas vaginalis pantothenate kinase, putative 0.0082 0.2535 0.895
Schistosoma mansoni pantothenate kinase 0.0082 0.2535 0.4209
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0058 0.1568 0.5335
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0045 0.108 0.4262
Schistosoma mansoni pantothenate kinase 0.0082 0.2535 0.4209
Schistosoma mansoni hypothetical protein 0.0164 0.583 1
Plasmodium falciparum pantothenate kinase 1, putative 0.0082 0.2535 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.1213 0.1885
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.1213 0.1088
Toxoplasma gondii pantothenate kinase 0.0035 0.0648 0.2556
Echinococcus multilocularis CAAX prenyl protease 2 0.0089 0.2816 0.4703
Trichomonas vaginalis pantothenate kinase, putative 0.0082 0.2535 0.895
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.014 0.0553
Echinococcus granulosus histone acetyltransferase KAT2B 0.0045 0.108 0.1652
Brugia malayi acetyltransferase, GNAT family protein 0.0154 0.5431 0.5366
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0089 0.2816 0.4703
Treponema pallidum exodeoxyribonuclease (exoA) 0.0022 0.014 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0068 0.1994 1
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0058 0.1568 0.5335
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0022 0.014 0.0703
Loa Loa (eye worm) hypothetical protein 0.0268 1 1
Echinococcus multilocularis geminin 0.0164 0.583 1
Echinococcus multilocularis mitogen activated protein kinase 0.0058 0.1568 0.2509
Onchocerca volvulus Huntingtin homolog 0.0268 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0058 0.1568 0.5335
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0068 0.1994 0.188
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.014 0.0553
Brugia malayi MAP kinase sur-1 0.0058 0.1568 0.1448
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0068 0.1994 0.3259
Loa Loa (eye worm) hypothetical protein 0.0055 0.1474 0.1353
Trypanosoma brucei pantothenate kinase subunit, putative 0.0082 0.2535 0.895
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0648 0.2556
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.1213 0.1885
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0068 0.1994 0.6929
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0045 0.108 0.4262
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0089 0.2816 0.4703
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0068 0.1994 1
Echinococcus granulosus geminin 0.0164 0.583 1
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0045 0.108 0.3513
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) 0.0089 0.2816 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0055 0.1474 0.5814
Entamoeba histolytica CAAX prenyl protease family 0.0089 0.2816 1
Giardia lamblia Histone acetyltransferase GCN5 0.0042 0.0929 0.2949
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.1213 0.1885
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0154 0.5431 0.93
Trypanosoma cruzi pantothenate kinase subunit, putative 0.0086 0.2711 0.9608
Trypanosoma brucei PAB1-binding protein , putative 0.0055 0.1474 0.4984
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0068 0.1994 0.3259
Giardia lamblia Hypothetical protein 0.0089 0.2816 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.1213 0.1885
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0058 0.1568 0.5335
Toxoplasma gondii fumble protein 0.0082 0.2535 1
Toxoplasma gondii LsmAD domain-containing protein 0.0055 0.1474 0.5814
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0058 0.1568 0.6184
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0068 0.1994 1
Trichomonas vaginalis pantothenate kinase, putative 0.0082 0.2535 0.895
Leishmania major pantothenate kinase subunit, putative 0.0086 0.2711 0.9608
Trypanosoma cruzi PAB1-binding protein , putative 0.0055 0.1474 0.4984
Echinococcus multilocularis pantothenate kinase 4 0.0082 0.2535 0.4209
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like 0.0089 0.2816 1
Loa Loa (eye worm) hypothetical protein 0.0089 0.2816 0.2714
Trypanosoma brucei protein kinase, putative 0.0058 0.1568 0.5335
Onchocerca volvulus Huntingtin homolog 0.0268 1 1
Echinococcus granulosus pantothenate kinase 4 0.0082 0.2535 0.4209
Plasmodium falciparum pantothenate kinase 2, putative 0.0035 0.0648 0.2556
Entamoeba histolytica acetyltransferase, GNAT family 0.0042 0.0929 0.33
Loa Loa (eye worm) acetyltransferase 0.0154 0.5431 0.5366
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0068 0.1994 0.3259
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0058 0.1568 0.5335
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) 0.0089 0.2816 1
Toxoplasma gondii exonuclease III APE 0.0022 0.014 0.0553
Echinococcus granulosus CAAX prenyl protease 2 0.0089 0.2816 0.4703
Plasmodium vivax pantothenate kinase, putative 0.0082 0.2535 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0022 0.014 0.5
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0058 0.1568 0.1448
Trichomonas vaginalis CMGC family protein kinase 0.0058 0.1568 0.5335
Trichomonas vaginalis CMGC family protein kinase 0.0058 0.1568 0.5335
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.1213 0.1885
Trypanosoma cruzi pantothenate kinase subunit, putative 0.0082 0.2535 0.895
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0058 0.1568 0.5335
Echinococcus granulosus histone acetyltransferase KAT2B 0.015 0.5259 0.8996
Echinococcus granulosus mitogen activated protein kinase 3 0.0058 0.1568 0.2509
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0025 0.0257 0.0206
Schistosoma mansoni hypothetical protein 0.0164 0.583 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0055 0.1474 0.5814
Giardia lamblia Pantothenate kinase 4 0.0082 0.2535 0.895
Echinococcus multilocularis mitogen activated protein kinase 3 0.0058 0.1568 0.2509
Plasmodium vivax ataxin-2 like protein, putative 0.0055 0.1474 0.5814
Plasmodium falciparum histone acetyltransferase GCN5 0.0042 0.0929 0.3666
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.1213 0.1885
Chlamydia trachomatis hypothetical protein 0.0018 0 0.5
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0154 0.5431 0.93
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.1213 0.1088
Trypanosoma cruzi CAAX prenyl protease 2, putative 0.0089 0.2816 1
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.1155 0.3792
Brugia malayi CAAX amino terminal protease family protein 0.0089 0.2816 0.2714
Trichomonas vaginalis bromodomain-containing protein, putative 0.0045 0.108 0.3513
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0058 0.1568 0.5335
Trichomonas vaginalis pantothenate kinase, putative 0.0082 0.2535 0.895
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0025 0.0257 0.0206
Trypanosoma cruzi PAB1-binding protein , putative 0.0055 0.1474 0.4984
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0045 0.108 0.4262
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0058 0.1568 0.5335
Trichomonas vaginalis CMGC family protein kinase 0.0058 0.1568 0.5335
Echinococcus granulosus mitogen activated protein kinase 0.0058 0.1568 0.2509
Brugia malayi pantothenate kinase family protein 0.0082 0.2535 0.2429
Trichomonas vaginalis pantothenate kinase, putative 0.0082 0.2535 0.895
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0022 0.014 0.0498
Leishmania major hypothetical protein, conserved 0.0055 0.1474 0.4984
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0022 0.014 0.0703
Schistosoma mansoni hypothetical protein 0.0025 0.0257 0.0206

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.