Detailed information for compound 685025

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 364.414 | Formula: C16H13FN2O3S2
  • H donors: 0 H acceptors: 3 LogP: 2.92 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc2c(c1)s/c(=N/C(=O)c1ccccc1S(=O)(=O)C)/n2C
  • InChi: 1S/C16H13FN2O3S2/c1-19-12-8-7-10(17)9-13(12)23-16(19)18-15(20)11-5-3-4-6-14(11)24(2,21)22/h3-9H,1-2H3/b18-16+
  • InChiKey: BLCCYRSGMGXNAJ-FBMGVBCBSA-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
Plasmodium vivax phenylalanine--tRNA ligase alpha subunit, putative 0.0328 0.2085 1
Entamoeba histolytica phenylalanyl-tRNA synthetase alpha subunit, putative 0.0328 0.2085 1
Schistosoma mansoni phenylalanyl-tRNA synthetase subunit alpha 0.0328 0.2085 1
Brugia malayi mbt repeat family protein 0.0052 0.0189 0.083
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.0175 0.0282
Brugia malayi phosphofructokinase 0.0119 0.0649 0.3051
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0175 0.0838
Mycobacterium ulcerans phenylalanyl-tRNA synthetase subunit alpha 0.1479 1 1
Entamoeba histolytica phosphofructokinase, putative 0.0119 0.0649 0.2937
Trichomonas vaginalis phosphofructokinase, putative 0.0119 0.0649 0.2937
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0039 0.0101 0.0304
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0059 0.0239 0.0722
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.0175 0.0759
Loa Loa (eye worm) hypothetical protein 0.0052 0.0189 0.0357
Echinococcus multilocularis histone acetyltransferase MYST2 0.0059 0.0239 0.0722
Schistosoma mansoni bromodomain containing protein 0.0069 0.0307 0.1471
Schistosoma mansoni phenylalanyl-tRNA synthetase mitochondrial 0.0162 0.0947 0.4541
Giardia lamblia Phenylalanyl-tRNA synthetase alpha chain 0.0328 0.2085 1
Mycobacterium leprae Probable phenylalanyl-tRNA synthetase, alpha chain PheS 0.0217 0.1322 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0175 0.0527
Trypanosoma brucei phenylalanyl-tRNA synthetase alpha chain, putative 0.0328 0.2085 1
Schistosoma mansoni 6-phosphofructokinase 0.0119 0.0649 0.3111
Plasmodium falciparum phenylalanine--tRNA ligase 0.0162 0.0947 0.4403
Brugia malayi Bromodomain containing protein 0.0042 0.0119 0.0488
Trypanosoma cruzi phenylalanyl-tRNA synthetase alpha chain, putative 0.0328 0.2085 1
Toxoplasma gondii phenylalanyl-tRNA synthetase alpha chain A, putative 0.0328 0.2085 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0065 0.028 0.0845
Trichomonas vaginalis phosphofructokinase, putative 0.0119 0.0649 0.2937
Echinococcus multilocularis phenylalanyl tRNA synthetase 0.0162 0.0947 0.2859
Echinococcus multilocularis phenylalanyl tRNA synthetase alpha chain B 0.0328 0.2085 0.6296
Trichomonas vaginalis phosphofructokinase, putative 0.0119 0.0649 0.2937
Schistosoma mansoni myelin transcription factor 1 myt1 0.0059 0.0239 0.1147
Brugia malayi Bromodomain containing protein 0.0082 0.0395 0.1824
Loa Loa (eye worm) 6-phosphofructokinase 0.0119 0.0649 0.2693
Mycobacterium tuberculosis Probable phenylalanyl-tRNA synthetase, alpha chain PheS 0.1479 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0175 0.0527
Plasmodium vivax phenylalanine--tRNA ligase, putative 0.0162 0.0947 0.4403
Loa Loa (eye worm) phenylalanyl-tRNA synthetase 0.0162 0.0947 0.421
Echinococcus granulosus polycomb protein SCMH1 0.0052 0.0189 0.0572
Loa Loa (eye worm) hypothetical protein 0.0328 0.2085 1
Entamoeba histolytica phosphofructokinase, putative 0.0119 0.0649 0.2937
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0111 0.0593 0.2665
Loa Loa (eye worm) hypothetical protein 0.0047 0.0151 0.0164
Loa Loa (eye worm) 6-phosphofructokinase 0.0119 0.0649 0.2693
Plasmodium falciparum phenylalanine--tRNA ligase alpha subunit 0.0328 0.2085 1
Leishmania major phenylalanyl-tRNA synthetase alpha chain, putative 0.0328 0.2085 1
Onchocerca volvulus 0.0052 0.0189 0.5
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0052 0.0189 0.0908
Brugia malayi mbt repeat family protein 0.0052 0.0189 0.083
Schistosoma mansoni 6-phosphofructokinase 0.0119 0.0649 0.3111
Echinococcus multilocularis neuropeptide s receptor 0.0506 0.3312 1
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0059 0.0239 0.0722
Echinococcus granulosus phenylalanyl tRNA synthetase alpha chain B 0.0328 0.2085 0.6296
Trichomonas vaginalis phosphofructokinase, putative 0.0119 0.0649 0.2937
Loa Loa (eye worm) hypothetical protein 0.0059 0.0239 0.061
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0206 0.1245 0.3761
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0206 0.1245 0.3761
Schistosoma mansoni phenylalanyl-tRNA synthetase subunit alpha 0.0111 0.0593 0.2846
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0065 0.028 0.0845
Echinococcus multilocularis polycomb protein SCMH1 0.0052 0.0189 0.0572
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0059 0.0239 0.107
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0328 0.2085 1
Echinococcus multilocularis SAM and MBT domain containing protein 0.0052 0.0189 0.0572
Plasmodium vivax phenylalanine--tRNA ligase, putative 0.0111 0.0593 0.2665
Brugia malayi 6-phosphofructokinase 0.0119 0.0649 0.3051
Echinococcus granulosus phenylalanyl tRNA synthetase 0.0162 0.0947 0.2859
Echinococcus granulosus SAM and MBT domain containing protein 0.0052 0.0189 0.0572
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0175 0.0838
Schistosoma mansoni sex comb on midleg homolog 0.0052 0.0189 0.0908
Entamoeba histolytica phosphofructokinase, putative 0.0119 0.0649 0.2937
Plasmodium falciparum phenylalanine--tRNA ligase 0.013 0.0723 0.3303
Loa Loa (eye worm) hypothetical protein 0.0077 0.0363 0.1239
Loa Loa (eye worm) MBCTL1 0.0059 0.0239 0.061
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0175 0.0838
Echinococcus granulosus histone acetyltransferase MYST2 0.0059 0.0239 0.0722
Treponema pallidum phenylalanyl-tRNA synthetase subunit alpha 0.0328 0.2085 1
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0119 0.0649 0.2937
Loa Loa (eye worm) phosphofructokinase 0.0119 0.0649 0.2693
Wolbachia endosymbiont of Brugia malayi phenylalanyl-tRNA synthetase subunit alpha 0.1479 1 0.5
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0111 0.0593 0.2665
Schistosoma mansoni hypothetical protein 0.0318 0.2013 0.9655
Echinococcus multilocularis 6 phosphofructokinase 0.0119 0.0649 0.1959
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0175 0.0527
Toxoplasma gondii Ferredoxin-fold anticodon binding domain-containing protein 0.0162 0.0947 0.4403
Echinococcus multilocularis neuropeptide receptor A26 0.0506 0.3312 1
Schistosoma mansoni sex comb on midleg homolog 0.0052 0.0189 0.0908
Loa Loa (eye worm) hypothetical protein 0.0045 0.0137 0.0091
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0052 0.0189 0.5
Brugia malayi 6-phosphofructokinase 0.0119 0.0649 0.3051
Echinococcus granulosus neuropeptide receptor A26 0.0506 0.3312 1
Brugia malayi phenylalanyl-tRNA synthetase, mitochondrial precursor, putative 0.0162 0.0947 0.4494
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0039 0.0101 0.0304
Echinococcus granulosus neuropeptide s receptor 0.0506 0.3312 1
Echinococcus granulosus 6 phosphofructokinase 0.0119 0.0649 0.1959
Loa Loa (eye worm) mbt repeat family protein 0.0052 0.0189 0.0357
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0175 0.0527
Brugia malayi phenylalanyl (f) trna synthetase protein 1 0.0328 0.2085 1

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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