Detailed information for compound 667741

Basic information

Technical information
  • TDR Targets ID: 667741
  • Name: ZINC01143670
  • MW: 455.527 | Formula: C23H25N3O5S
  • H donors: 2 H acceptors: 4 LogP: 3.19 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccc(cc1)N(S(=O)(=O)C)CC(=O)Nc1ccccc1C(=O)NCc1ccco1
  • InChi: 1S/C23H25N3O5S/c1-3-17-10-12-18(13-11-17)26(32(2,29)30)16-22(27)25-21-9-5-4-8-20(21)23(28)24-15-19-7-6-14-31-19/h4-14H,3,15-16H2,1-2H3,(H,24,28)(H,25,27)
  • InChiKey: IKSBZSQYNOABDX-UHFFFAOYSA-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
Trypanosoma cruzi methionyl-tRNA synthetase, putative 0.0045 0.0522 0.541
Echinococcus multilocularis glycyl tRNA synthetase 0.006 0.081 0.081
Schistosoma mansoni methionyl-tRNA synthetase 0.0034 0.031 0.031
Plasmodium falciparum methionine--tRNA ligase 0.0045 0.0522 1
Onchocerca volvulus Huntingtin homolog 0.0139 0.2311 0.5578
Plasmodium falciparum phd finger protein, putative 0.0029 0.0209 0.3994
Schistosoma mansoni hypothetical protein 0.0041 0.0436 0.0436
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.029 0.5193 1
Onchocerca volvulus 0.003 0.0222 0.0535
Treponema pallidum methionyl-tRNA synthetase 0.0319 0.5748 1
Echinococcus granulosus jumonji domain containing protein 0.004 0.0425 0.0425
Brugia malayi protein ZK524.3 0.0045 0.0522 0.0852
Leishmania major hypothetical protein 0.0034 0.031 0.321
Schistosoma mansoni leucyl-tRNA synthetase 0.0045 0.0522 0.0522
Chlamydia trachomatis leucine--tRNA ligase 0.0045 0.0522 0.0444
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0222 0.0222
Onchocerca volvulus 0.0029 0.0207 0.05
Echinococcus granulosus glycyl tRNA synthetase 0.006 0.081 0.081
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.01 0.1564 0.1564
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0209 0.0209
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.0966 1
Schistosoma mansoni methionine-tRNA synthetase 0.0284 0.5095 0.5095
Trypanosoma cruzi hypothetical protein, conserved 0.0034 0.031 0.321
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.0325 0.0325
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0035 0.0322 0.0322
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0041 0.0436 0.0436
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0325 0.0325
Wolbachia endosymbiont of Brugia malayi leucyl-tRNA synthetase 0.0045 0.0522 1
Loa Loa (eye worm) hypothetical protein 0.0139 0.2311 0.3771
Loa Loa (eye worm) hypothetical protein 0.003 0.0222 0.0362
Loa Loa (eye worm) methionyl-tRNA synthetase 0.0045 0.0522 0.0852
Brugia malayi Latrophilin receptor protein 2 0.0035 0.0322 0.0525
Schistosoma mansoni lamin 0.0029 0.0207 0.0207
Onchocerca volvulus Alhambra homolog 0.0029 0.0209 0.0504
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0222 0.0222
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0209 0.1774
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0222 0.0222
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0035 0.0322 0.0322
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0095 0.1465 0.1465
Leishmania major cathepsin L-like protease 0.0068 0.0966 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.029 0.5193 1
Trichomonas vaginalis methionine-tRNA synthetase, putative 0.0045 0.0522 0.1006
Loa Loa (eye worm) hypothetical protein 0.0284 0.5095 0.8312
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0041 0.0436 0.0436
Echinococcus granulosus methionine tRNA synthetase 0.0045 0.0522 0.0522
Toxoplasma gondii tRNA ligases class I (M) protein 0.0045 0.0522 0.4442
Brugia malayi Pre-SET motif family protein 0.0206 0.3599 0.5871
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0207 0.0338
Loa Loa (eye worm) hypothetical protein 0.0075 0.1094 0.1785
Brugia malayi Pre-SET motif family protein 0.003 0.0222 0.0362
Onchocerca volvulus 0.0029 0.0207 0.05
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0063 0.0852 0.8824
Loa Loa (eye worm) bifunctional aminoacyl-tRNA synthetase 0.006 0.081 0.1322
Mycobacterium tuberculosis Methionyl-tRNA synthetase MetS (MetRS) (methionine--tRNA ligase) 0.0045 0.0522 0.1036
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.029 0.5193 1
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.031 0.0597
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.0966 1
Brugia malayi jmjC domain containing protein 0.0095 0.1465 0.239
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0325 0.053
Echinococcus granulosus peregrin 0.0029 0.0209 0.0209
Loa Loa (eye worm) hypothetical protein 0.0045 0.0522 0.0852
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0209 0.1774
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.031 0.0597
Loa Loa (eye worm) multisynthetase complex auxiliary component p43 0.0273 0.4882 0.7965
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.01 0.1564 0.1564
Echinococcus multilocularis methionine tRNA synthetase 0.0045 0.0522 0.0522
Schistosoma mansoni hypothetical protein 0.0035 0.0322 0.0322
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.029 0.5193 1
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.031 0.0597
Echinococcus multilocularis aminoacyl tRNA synthase complex interacting 0.0034 0.031 0.031
Onchocerca volvulus Huntingtin homolog 0.0139 0.2311 0.5578
Loa Loa (eye worm) hypothetical protein 0.005 0.0603 0.0984
Loa Loa (eye worm) hypothetical protein 0.0029 0.0207 0.0338
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.0966 1
Plasmodium vivax SET domain protein, putative 0.003 0.0222 0.4247
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0035 0.0322 0.0525
Mycobacterium ulcerans methionyl-tRNA synthetase 0.0045 0.0522 0.1036
Trypanosoma cruzi cysteine peptidase, putative 0.0068 0.0966 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0035 0.0322 0.0525
Schistosoma mansoni transcription factor LCR-F1 0.0041 0.0436 0.0436
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0035 0.0322 0.0322
Leishmania major cathepsin L-like protease 0.0068 0.0966 1
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0209 0.0209
Brugia malayi hypothetical protein 0.0139 0.2311 0.3771
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.0966 1
Echinococcus multilocularis leucyl tRNA synthetase 0.0045 0.0522 0.0522
Trypanosoma brucei methionyl-tRNA synthetase, putative 0.0045 0.0522 0.324
Trypanosoma cruzi tyrosyl or methionyl-tRNA synthetase, putative 0.0034 0.031 0.321
Echinococcus granulosus GPCR family 2 0.0035 0.0322 0.0322
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0222 0.0222
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.01 0.1564 0.1564
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0325 0.0325
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.029 0.5193 1
Plasmodium falciparum methionine--tRNA ligase, putative 0.0045 0.0522 1
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0207 0.0338
Plasmodium vivax methionine--tRNA ligase, putative 0.0045 0.0522 1
Schistosoma mansoni lamin 0.0029 0.0207 0.0207
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0339 0.6129 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.01 0.1564 0.2552
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.0966 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.01 0.1564 0.1564
Echinococcus granulosus intermediate filament protein 0.0029 0.0207 0.0207
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0209 0.3994
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0206 0.3599 0.5871
Loa Loa (eye worm) hypothetical protein 0.0035 0.0322 0.0525
Brugia malayi intermediate filament protein 0.0029 0.0207 0.0338
Brugia malayi glycyl-tRNA synthetase 0.006 0.081 0.1322
Schistosoma mansoni hypothetical protein 0.0035 0.0322 0.0322
Mycobacterium ulcerans leucyl-tRNA synthetase 0.0045 0.0522 0.1036
Leishmania major hypothetical protein, conserved 0.0034 0.031 0.321
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0325 0.0325
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0222 0.0222
Schistosoma mansoni hypothetical protein 0.0035 0.0322 0.0322
Brugia malayi hypothetical protein 0.0041 0.0436 0.0711
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0339 0.6129 0.6129
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.0966 1
Schistosoma mansoni jumonji domain containing protein 0.0075 0.1093 0.1093
Schistosoma mansoni hypothetical protein 0.0029 0.0209 0.0209
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0095 0.1465 0.1465
Entamoeba histolytica hypothetical protein 0.0041 0.0436 0.0759
Leishmania major cathepsin L-like protease 0.0068 0.0966 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.01 0.1564 0.1564
Trypanosoma cruzi cysteine peptidase, putative 0.0068 0.0966 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.029 0.5193 1
Echinococcus granulosus tyrosyl tRNA synthetase 0.0034 0.031 0.031
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.01 0.1564 0.2552
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0201 0.0201
Treponema pallidum fructose-bisphosphate aldolase 0.029 0.5193 0.8937
Echinococcus multilocularis GPCR, family 2 0.0035 0.0322 0.0322
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.0966 1
Loa Loa (eye worm) hypothetical protein 0.0139 0.2311 0.3771
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.0966 1
Schistosoma mansoni hypothetical protein 0.0035 0.0322 0.0322
Schistosoma mansoni intermediate filament proteins 0.0029 0.0207 0.0207
Loa Loa (eye worm) hypothetical protein 0.011 0.176 0.2871
Giardia lamblia Fructose-bisphosphate aldolase 0.029 0.5193 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.029 0.5193 0.9034
Toxoplasma gondii methionyl-tRNA synthetase 0.0079 0.1176 1
Plasmodium vivax methionine-tRNA ligase, putative 0.0034 0.031 0.5933
Schistosoma mansoni hypothetical protein 0.0541 1 1
Giardia lamblia Methionyl-tRNA synthetase 0.0034 0.031 0.0203
Wolbachia endosymbiont of Brugia malayi methionyl-tRNA synthetase 0.0045 0.0522 1
Trichomonas vaginalis set domain proteins, putative 0.0235 0.4144 0.7979
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.0797 0.13
Loa Loa (eye worm) hypothetical protein 0.0045 0.0522 0.0852
Giardia lamblia Leucyl-tRNA synthetase 0.0045 0.0522 0.0629
Trypanosoma cruzi cysteine peptidase, putative 0.0068 0.0966 1
Echinococcus multilocularis musashi 0.0029 0.0207 0.0207
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0222 0.0222
Loa Loa (eye worm) pigment dispersing factor receptor c 0.011 0.176 0.2871
Echinococcus multilocularis lamin dm0 0.0029 0.0207 0.0207
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0425 0.0425
Trypanosoma cruzi cruzipain precursor, putative 0.0068 0.0966 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.0966 1
Entamoeba histolytica hypothetical protein 0.0041 0.0436 0.0759
Toxoplasma gondii tRNA binding domain-containing protein 0.0034 0.031 0.2636
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0141 0.2361 1
Brugia malayi methionyl-tRNA synthetase 0.0045 0.0522 0.0852
Entamoeba histolytica hypothetical protein 0.0041 0.0436 0.0759
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0209 0.034
Leishmania major leucyl-tRNA synthetase, putative 0.0045 0.0522 0.541
Plasmodium falciparum tRNA import protein tRIP 0.0034 0.031 0.5933
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0339 0.6129 1
Echinococcus multilocularis geminin 0.0541 1 1
Schistosoma mansoni hypothetical protein 0.0075 0.1094 0.1094
Entamoeba histolytica hypothetical protein 0.0034 0.031 0.0539
Brugia malayi PHD-finger family protein 0.0029 0.0209 0.034
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0339 0.6129 0.6129
Loa Loa (eye worm) hypothetical protein 0.0028 0.0197 0.0322
Echinococcus multilocularis tyrosyl tRNA synthetase 0.0034 0.031 0.031
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.029 0.5193 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0035 0.0322 0.0322
Schistosoma mansoni methionine-tRNA synthetase 0.0045 0.0522 0.0522
Plasmodium vivax methionine--tRNA ligase, putative 0.0045 0.0522 1
Brugia malayi methionyl-tRNA synthetase 0.0319 0.5748 0.9378
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0222 0.0222
Plasmodium vivax hypothetical protein, conserved 0.0045 0.0522 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.0966 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.011 0.176 0.2871
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0141 0.2361 1
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0339 0.6129 0.6129
Schistosoma mansoni glycyl-tRNA synthetase 0.006 0.081 0.081
Schistosoma mansoni hypothetical protein 0.0541 1 1
Loa Loa (eye worm) glycyl-tRNA synthetase 0.006 0.081 0.1322
Chlamydia trachomatis methionine--tRNA ligase 0.0284 0.5095 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0141 0.2361 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.011 0.176 0.2871
Trypanosoma cruzi hypothetical protein, conserved 0.0034 0.031 0.321
Brugia malayi latrophilin 2 splice variant baaae 0.0075 0.1094 0.1785
Onchocerca volvulus 0.0235 0.4144 1
Trichomonas vaginalis methionyl-tRNA synthetase, putative 0.0034 0.031 0.0597
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.006 0.081 0.1322
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.01 0.1564 0.1564
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.0966 1
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0389 0.0749
Trypanosoma cruzi major cysteine proteinase, putative 0.0054 0.0685 0.7098
Schistosoma mansoni tyrosyl-tRNA synthetase 0.0034 0.031 0.031
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.029 0.5193 0.9034
Echinococcus granulosus aminoacyl tRNA synthase complex interacting 0.0034 0.031 0.031
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.029 0.5193 1
Brugia malayi jmjC domain containing protein 0.0035 0.0325 0.053
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0207 0.0338
Entamoeba histolytica methionyl-tRNA synthetase, putative 0.0319 0.5748 1
Echinococcus granulosus methionyl tRNA synthetase cytoplasmic 0.0284 0.5095 0.5095
Giardia lamblia Methionyl-tRNA synthetase 0.0045 0.0522 0.0629
Loa Loa (eye worm) hypothetical protein 0.0029 0.0209 0.034
Echinococcus multilocularis lamin 0.0029 0.0207 0.0207
Echinococcus multilocularis peregrin 0.0029 0.0209 0.0209
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.01 0.1564 0.1564
Leishmania major tyrosyl or methionyl-tRNA synthetase-like protein 0.0034 0.031 0.321
Trypanosoma cruzi tyrosyl or methionyl-tRNA synthetase, putative 0.0034 0.031 0.321
Echinococcus multilocularis methionyl tRNA synthetase, cytoplasmic 0.0284 0.5095 0.5095
Echinococcus granulosus lamin 0.0029 0.0207 0.0207
Leishmania major methionyl-tRNA synthetase, putative 0.0045 0.0522 0.541
Entamoeba histolytica hypothetical protein 0.0034 0.031 0.0539
Entamoeba histolytica hypothetical protein 0.0041 0.0436 0.0759
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0209 0.0209
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0222 0.1887
Brugia malayi Bromodomain containing protein 0.0029 0.0209 0.034
Echinococcus granulosus lamin dm0 0.0029 0.0207 0.0207

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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