Detailed information for compound 775333

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 416.492 | Formula: C24H20N2O3S
  • H donors: 1 H acceptors: 3 LogP: 4.3 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)S(=O)(=O)NC1=CC(=Nc2cccc(c2)C)C(=O)c2c1cccc2
  • InChi: 1S/C24H20N2O3S/c1-16-10-12-19(13-11-16)30(28,29)26-22-15-23(25-18-7-5-6-17(2)14-18)24(27)21-9-4-3-8-20(21)22/h3-15,26H,1-2H3
  • InChiKey: FEMUPKQJNUJHKI-UHFFFAOYSA-N  


Substructure search Similarity search

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
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0331 0.3716 1
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0331 0.3716 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0311 0.0705
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0331 0.3716 1
Entamoeba histolytica CAAX amino terminal protease family 0.0019 0.0114 0.0169
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.0331 0.3716 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0247 0.0247
Mycobacterium tuberculosis Probable trigger factor (TF) protein Tig 0.0046 0.0424 1
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0036 0.0311 0.4138
Echinococcus granulosus lysosomal alpha glucosidase 0.0161 0.1755 0.3514
Loa Loa (eye worm) hypothetical protein 0.0046 0.0424 0.1089
Brugia malayi Glycosyl hydrolases family 31 protein 0.0013 0.0052 0.0086
Trypanosoma brucei glucosidase, putative 0.0036 0.0311 0.0705
Echinococcus granulosus GPCR family 2 0.0016 0.0078 0.0157
Schistosoma mansoni fk506 binding protein 0.0046 0.0424 0.0849
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0331 0.3716 0.3716
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0247 0.0494
Loa Loa (eye worm) hypothetical protein 0.003 0.0247 0.0608
Echinococcus multilocularis lysosomal alpha glucosidase 0.0161 0.1755 0.1755
Echinococcus granulosus FK506 binding protein 2 0.0046 0.0424 0.0849
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0331 0.3716 1
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-33, BmFKBP-33 0.0046 0.0424 0.1092
Trichomonas vaginalis sucrase-isomaltase, putative 0.0036 0.0311 0.0705
Trypanosoma brucei hypothetical protein, conserved 0.0046 0.0424 0.1015
Schistosoma mansoni immunophilin 0.0331 0.3716 0.7442
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0226 0.0453
Entamoeba histolytica CAAX amino terminal protease family 0.0019 0.0114 0.0169
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0331 0.3716 0.7442
Brugia malayi CAAX amino terminal protease family protein 0.0091 0.0943 0.2495
Schistosoma mansoni hypothetical protein 0.0442 0.4994 1
Loa Loa (eye worm) FKBP5 protein 0.0331 0.3716 1
Plasmodium vivax peptidyl-prolyl cis-trans isomerase, putative 0.0046 0.0424 0.086
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0247 0.0494
Trichomonas vaginalis fk506-binding protein, putative 0.0046 0.0424 0.1015
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0331 0.3716 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0078 0.0157
Echinococcus multilocularis CAAX prenyl protease 2 0.0091 0.0943 0.0943
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0247 0.0494
Echinococcus multilocularis geminin 0.0183 0.2009 0.2009
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0285 0.3191 0.639
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0331 0.3716 1
Chlamydia trachomatis peptidyl-prolyl cis-trans isomerase 0.0046 0.0424 1
Echinococcus multilocularis dnaJ subfamily B 0.0442 0.4994 0.4994
Trichomonas vaginalis fk506 binding protein, putative 0.0046 0.0424 0.1015
Trichomonas vaginalis fk506-binding protein, putative 0.0331 0.3716 1
Schistosoma mansoni immunophilin 0.0285 0.3191 0.639
Echinococcus granulosus geminin 0.0183 0.2009 0.4024
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) 0.0091 0.0943 0.2431
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0046 0.0424 0.5
Schistosoma mansoni hypothetical protein 0.0183 0.2009 0.4024
Echinococcus granulosus FK506 binding protein 8 38 kDa 0.0046 0.0424 0.0849
Schistosoma mansoni hypothetical protein 0.0046 0.0424 0.0849
Leishmania major peptidyl-prolyl cis-trans isomerase, putative 0.0046 0.0424 0.1015
Trichomonas vaginalis fk506-binding protein, putative 0.0046 0.0424 0.1015
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0046 0.0424 0.6527
Echinococcus multilocularis GPCR, family 2 0.0016 0.0078 0.0078
Echinococcus multilocularis fk506 binding protein 0.0331 0.3716 0.3716
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0311 0.0705
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-13, BmFKBP-13 0.0046 0.0424 0.1092
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0331 0.3716 1
Plasmodium vivax SET domain protein, putative 0.003 0.0247 0.0368
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0311 0.0705
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0046 0.0424 0.1015
Toxoplasma gondii histone lysine methyltransferase SET1 0.006 0.0589 1
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0311 0.0705
Trypanosoma cruzi CAAX prenyl protease 2, putative 0.0091 0.0943 0.2431
Trichomonas vaginalis maltase-glucoamylase, putative 0.0036 0.0311 0.0705
Entamoeba histolytica CAAX prenyl protease family 0.0091 0.0943 0.2431
Loa Loa (eye worm) hypothetical protein 0.0091 0.0943 0.2493
Giardia lamblia Hypothetical protein 0.0091 0.0943 0.1575
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0331 0.3716 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0036 0.0311 0.0782
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0311 0.0705
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0311 0.0705
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0078 0.0157
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0247 0.0494
Echinococcus granulosus dnaJ subfamily B 0.0442 0.4994 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0247 0.0247
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0091 0.0943 0.1888
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0206 0.2278 0.6106
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0331 0.3716 1
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0331 0.3716 1
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0287 0.0721
Echinococcus granulosus CAAX prenyl protease 2 0.0091 0.0943 0.1888
Onchocerca volvulus 0.0235 0.2605 1
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) 0.0091 0.0943 0.2431
Loa Loa (eye worm) CXXC zinc finger family protein 0.0031 0.0256 0.0635
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0331 0.3716 0.7442
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0078 0.0078
Schistosoma mansoni hypothetical protein 0.0183 0.2009 0.4024
Trichomonas vaginalis immunophilin, putative 0.0331 0.3716 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0067 0.067 0.1342
Brugia malayi Glycosyl hydrolases family 31 protein 0.0161 0.1755 0.4693
Onchocerca volvulus 0.0031 0.0256 0.08
Onchocerca volvulus 0.0046 0.0424 0.1457
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0247 0.0494
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-30, BmFKBP-30 0.0046 0.0424 0.1092
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-13 0.0046 0.0424 0.1089
Trichomonas vaginalis set domain proteins, putative 0.0235 0.2605 0.6968
Loa Loa (eye worm) hypothetical protein 0.0049 0.0467 0.1204
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0311 0.0705
Trypanosoma cruzi FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0046 0.0424 0.1015
Schistosoma mansoni alpha glucosidase 0.0036 0.0311 0.0622
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-33 0.0046 0.0424 0.1089
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0331 0.3716 1
Brugia malayi CXXC zinc finger family protein 0.0031 0.0256 0.0638
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0161 0.1755 0.4691
Onchocerca volvulus 0.0093 0.0972 0.3604
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0467 0.1207
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0331 0.3716 0.7442
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0046 0.0424 0.5
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0046 0.0424 0.1015
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0331 0.3716 1
Echinococcus granulosus cpg binding protein 0.0033 0.0277 0.0554
Schistosoma mansoni alpha-glucosidase 0.0139 0.1496 0.2997
Schistosoma mansoni hypothetical protein 0.0016 0.0078 0.0157
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0331 0.3716 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0311 0.0705
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0046 0.0424 0.1015
Echinococcus multilocularis lysosomal alpha glucosidase 0.0161 0.1755 0.1755
Leishmania major fk506-binding protein 1-like protein 0.0331 0.3716 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0078 0.0157
Trypanosoma cruzi macrophage infectivity potentiator, precursor, putative 0.0046 0.0424 0.1015
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0091 0.0943 0.1888
Echinococcus multilocularis cpg binding protein 0.0033 0.0277 0.0277
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0467 0.1207
Schistosoma mansoni hypothetical protein 0.0016 0.0078 0.0157
Echinococcus multilocularis neutral alpha glucosidase AB 0.0036 0.0311 0.0311
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0311 0.0705
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0467 0.1204
Echinococcus granulosus neutral alpha glucosidase AB 0.0036 0.0311 0.0622
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0022 0.0044
Mycobacterium leprae PROBABLE TRIGGER FACTOR (TF) PROTEIN TIG 0.0046 0.0424 0.5
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type (slyD) 0.0046 0.0424 0.086
Onchocerca volvulus 0.0046 0.0424 0.1457
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0285 0.3191 0.3191
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0078 0.0157
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0247 0.2791
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0046 0.0424 0.1015
Trypanosoma brucei CAAX amino terminal protease, putative 0.0091 0.0943 0.2431
Schistosoma mansoni cpg binding protein 0.0033 0.0277 0.0554
Schistosoma mansoni hypothetical protein 0.0016 0.0078 0.0157
Loa Loa (eye worm) hypothetical protein 0.0013 0.0052 0.0082
Schistosoma mansoni hypothetical protein 0.0034 0.0287 0.0575
Trypanosoma brucei FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0046 0.0424 0.1015
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0078 0.0153
Mycobacterium ulcerans hypothetical protein 0.0046 0.0424 0.086
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0331 0.3716 1
Echinococcus multilocularis 0.0046 0.0424 0.0424
Echinococcus multilocularis FK506 binding protein 8, 38 kDa 0.0046 0.0424 0.0424
Loa Loa (eye worm) hypothetical protein 0.0016 0.0078 0.0153
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like 0.0091 0.0943 0.2431
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0331 0.3716 1
Trypanosoma brucei macrophage infectivity potentiator, precursor, putative 0.0046 0.0424 0.1015
Leishmania major alpha glucosidase II subunit, putative 0.0036 0.0311 0.0705
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0046 0.0424 0.1015
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0331 0.3716 1
Schistosoma mansoni immunophilin 0.0331 0.3716 0.7442
Trypanosoma cruzi FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0046 0.0424 0.1015
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0078 0.0078
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0331 0.3716 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0036 0.0311 0.0785
Brugia malayi Pre-SET motif family protein 0.0206 0.2278 0.6108
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase, putative 0.0046 0.0424 0.086
Schistosoma mansoni hypothetical protein 0.0016 0.0078 0.0157
Trichomonas vaginalis conserved hypothetical protein 0.0046 0.0424 0.1015
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0046 0.0424 0.6527
Loa Loa (eye worm) hypothetical protein 0.0285 0.3191 0.8578
Loa Loa (eye worm) hypothetical protein 0.0034 0.0287 0.0718
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0046 0.0424 0.6527
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0311 0.0705
Schistosoma mansoni cpg binding protein 0.0031 0.0256 0.0513
Leishmania major peptidylprolyl isomerase-like protein 0.0331 0.3716 1
Schistosoma mansoni cpg binding protein 0.0033 0.0277 0.0554
Brugia malayi Pre-SET motif family protein 0.003 0.0247 0.0612
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-30 0.0046 0.0424 0.1089
Schistosoma mansoni alpha-glucosidase 0.0139 0.1496 0.2997
Trichomonas vaginalis conserved hypothetical protein 0.0046 0.0424 0.1015
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0022 0.0022
Leishmania major peptidyl-prolyl cis-trans isomerase, macrophage infectivity potentiator precursor, putative 0.0046 0.0424 0.1015
Leishmania major FKBP-type peptidyl-prolyl cis-trans isomerase, putative 0.0046 0.0424 0.1015
Onchocerca volvulus 0.003 0.0247 0.0762
Toxoplasma gondii peptidyl-prolyl isomerase FKBP12, putative 0.0046 0.0424 0.6527
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.0331 0.3716 1
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0311 0.0705

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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