Detailed information for compound 1814899

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 484.93 | Formula: C23H18ClFN4O3S
  • H donors: 0 H acceptors: 4 LogP: 4.95 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)S(=O)(=O)c1c(/C=N/OCc2ccc(nc2)Cl)c(nn1c1ccccc1)C
  • InChi: 1S/C23H18ClFN4O3S/c1-16-21(14-27-32-15-17-7-12-22(24)26-13-17)23(29(28-16)19-5-3-2-4-6-19)33(30,31)20-10-8-18(25)9-11-20/h2-14H,15H2,1H3/b27-14+
  • InChiKey: ZCCFSCCQWWWGNT-MZJWZYIUSA-N  

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
Echinococcus granulosus NADPH cytochrome P450 reductase 0.1222 1 1
Schistosoma mansoni cytochrome P450 reductase 0.1222 1 1
Chlamydia trachomatis sulfite reductase 0.0755 0.3805 0.5
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0743 0.3646 0.3646
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.1222 1 1
Plasmodium vivax flavodoxin domain containing protein 0.1083 0.8159 0.8159
Leishmania major cytochrome P450 reductase, putative 0.1083 0.8159 0.8159
Trichomonas vaginalis CMGC family protein kinase 0.0743 0.3646 0.3646
Treponema pallidum flavodoxin 0.0468 0 0.5
Giardia lamblia Nitric oxide synthase, inducible 0.1083 0.8159 1
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.1222 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0743 0.3646 0.2212
Trypanosoma cruzi p450 reductase, putative 0.1222 1 1
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.1222 1 1
Brugia malayi MAP kinase sur-1 0.0743 0.3646 0.3646
Entamoeba histolytica type A flavoprotein, putative 0.0468 0 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0743 0.3646 0.3646
Entamoeba histolytica type A flavoprotein, putative 0.0468 0 0.5
Leishmania major p450 reductase, putative 0.1222 1 1
Trypanosoma cruzi cytochrome P450 reductase, putative 0.1222 1 1
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.1222 1 1
Schistosoma mansoni NADPH flavin oxidoreductase 0.0616 0.1964 0.0151
Trichomonas vaginalis CMGC family protein kinase 0.0743 0.3646 0.3646
Brugia malayi FAD binding domain containing protein 0.1222 1 1
Echinococcus multilocularis methionine synthase reductase 0.0755 0.3805 0.0251
Brugia malayi FAD binding domain containing protein 0.0755 0.3805 0.3805
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.1222 1 1
Giardia lamblia Hypothetical protein 0.1083 0.8159 1
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.1083 0.8159 0.8159
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.1222 1 1
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.1222 1 1
Trichomonas vaginalis sulfite reductase, putative 0.1222 1 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0743 0.3646 0.3646
Trypanosoma brucei protein kinase, putative 0.0743 0.3646 0.3646
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0755 0.3805 0.2407
Loa Loa (eye worm) FAD binding domain-containing protein 0.1222 1 1
Echinococcus granulosus methionine synthase reductase 0.0755 0.3805 0.0251
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0743 0.3646 0.3646
Trichomonas vaginalis CMGC family protein kinase 0.0743 0.3646 0.3646
Loa Loa (eye worm) FAD binding domain-containing protein 0.0755 0.3805 0.3805
Entamoeba histolytica type A flavoprotein, putative 0.0468 0 0.5
Loa Loa (eye worm) hypothetical protein 0.1222 1 1
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.1222 1 1
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0743 0.3646 0.3646
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0743 0.3646 1
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.1222 1 0.5
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0743 0.3646 0.3646
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0743 0.3646 0.3646
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.1222 1 1
Entamoeba histolytica type A flavoprotein, putative 0.0468 0 0.5
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0743 0.3646 0.3646
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.1222 1 1
Trypanosoma cruzi cytochrome P450 reductase, putative 0.1222 1 1
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0743 0.3646 0.3646
Plasmodium falciparum nitric oxide synthase, putative 0.1222 1 1
Entamoeba histolytica type A flavoprotein, putative 0.0468 0 0.5

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.

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