Detailed information for compound 1767655

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 341.338 | Formula: C17H11NO5S
  • H donors: 2 H acceptors: 4 LogP: 2.93 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1cc(CSc2nc3c(o2)cccc3)c2c(o1)c(O)c(cc2)O
  • InChi: 1S/C17H11NO5S/c19-12-6-5-10-9(7-14(20)23-16(10)15(12)21)8-24-17-18-11-3-1-2-4-13(11)22-17/h1-7,19,21H,8H2
  • InChiKey: BRFYMJFKXUVOPI-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 hypothetical protein, conserved 0.004 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0414 0.1606 0.1606
Echinococcus granulosus protein jagged 2 0.0414 0.1606 0.1606
Onchocerca volvulus Dual oxidase homolog 0.2369 1 1
Schistosoma mansoni hypothetical protein 0.0414 0.1606 0.1606
Onchocerca volvulus Putative cubilin 0.0414 0.1606 0.1606
Echinococcus multilocularis slit 2 protein 0.0414 0.1606 0.1606
Brugia malayi Delta serrate ligand family protein 0.0414 0.1606 0.1606
Loa Loa (eye worm) hypothetical protein 0.0414 0.1606 0.1606
Schistosoma mansoni laminin gamma-3 chain 0.0414 0.1606 0.1606
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0073 0.0143 0.0143
Echinococcus granulosus fibropellin Ia 0.0414 0.1606 0.1606
Loa Loa (eye worm) hypothetical protein 0.2369 1 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0048 0.0035 0.038
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0414 0.1606 0.1606
Onchocerca volvulus Peroxidase homolog 0.2369 1 1
Trypanosoma brucei hypothetical protein, conserved 0.004 0 0.5
Echinococcus multilocularis peroxidasin 0.2369 1 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0073 0.0143 0.0888
Echinococcus granulosus peroxidasin 0.2369 1 1
Echinococcus multilocularis neurogenic locus notch protein 0.0414 0.1606 0.1606
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.004 0 0.5
Echinococcus multilocularis protein jagged 2 0.0414 0.1606 0.1606
Toxoplasma gondii EGF family domain-containing protein 0.0414 0.1606 1
Loa Loa (eye worm) hypothetical protein 0.0414 0.1606 0.1606
Trichomonas vaginalis D-aminoacylase, putative 0.004 0 0.5
Brugia malayi Animal haem peroxidase family protein 0.2369 1 1
Echinococcus multilocularis fat cadherin tumor suppressor 0.0414 0.1606 0.1606
Echinococcus multilocularis geminin 0.0187 0.0631 0.0631
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0048 0.0035 0.038
Brugia malayi Muscle positioning protein 4 0.0414 0.1606 0.1606
Onchocerca volvulus Peroxidasin homolog 0.2369 1 1
Brugia malayi EGF-like domain containing protein 0.0414 0.1606 0.1606
Onchocerca volvulus 0.2369 1 1
Brugia malayi Animal haem peroxidase family protein 0.2369 1 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0073 0.0143 0.5
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0073 0.0143 0.5
Brugia malayi EGF-like domain containing protein 0.0414 0.1606 0.1606
Brugia malayi Cadherin domain containing protein 0.0414 0.1606 0.1606
Loa Loa (eye worm) hypothetical protein 0.0414 0.1606 0.1606
Echinococcus granulosus neurogenic locus notch protein 0.0414 0.1606 0.1606
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0414 0.1606 0.1606
Echinococcus multilocularis peptidase Clp (S14 family) 0.0048 0.0035 0.0035
Loa Loa (eye worm) hypothetical protein 0.0414 0.1606 0.1606
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0073 0.0143 1
Schistosoma mansoni peroxidasin 0.2369 1 1
Loa Loa (eye worm) hypothetical protein 0.0414 0.1606 0.1606
Schistosoma mansoni hypothetical protein 0.0187 0.0631 0.0631
Giardia lamblia High cysteine protein 0.0414 0.1606 0.5
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0073 0.0143 0.5
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0414 0.1606 0.1606
Echinococcus multilocularis neurogenic locus notch protein 0.0414 0.1606 0.1606
Loa Loa (eye worm) hypothetical protein 0.0073 0.0143 0.0143
Loa Loa (eye worm) hypothetical protein 0.0414 0.1606 0.1606
Brugia malayi EGF-like domain containing protein 0.0414 0.1606 0.1606
Echinococcus multilocularis neural cadherin 0.0414 0.1606 0.1606
Brugia malayi EGF-like domain containing protein 0.0414 0.1606 0.1606
Loa Loa (eye worm) hypothetical protein 0.0414 0.1606 0.1606
Loa Loa (eye worm) hypothetical protein 0.0414 0.1606 0.1606
Schistosoma mansoni hypothetical protein 0.0414 0.1606 0.1606
Loa Loa (eye worm) hypothetical protein 0.2369 1 1
Schistosoma mansoni notch 0.0414 0.1606 0.1606
Trichomonas vaginalis D-aminoacylase, putative 0.004 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0414 0.1606 0.1606
Loa Loa (eye worm) blistered cuticle protein 3 0.2369 1 1
Brugia malayi EGF-like domain containing protein 0.0414 0.1606 0.1606
Brugia malayi Calcium binding EGF domain containing protein 0.0414 0.1606 0.1606
Loa Loa (eye worm) notch protein 0.0414 0.1606 0.1606
Brugia malayi Animal haem peroxidase family protein 0.2369 1 1
Schistosoma mansoni slit 0.0414 0.1606 0.1606
Echinococcus granulosus protein jagged 1 0.0414 0.1606 0.1606
Onchocerca volvulus 0.0414 0.1606 0.1606
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0046 0.0046
Onchocerca volvulus Peroxidasin homolog 0.2369 1 1
Brugia malayi Probable ClpP-like protease 0.0073 0.0143 0.0143
Loa Loa (eye worm) hypothetical protein 0.2369 1 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0073 0.0143 0.0888
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0073 0.0143 1
Echinococcus granulosus neurogenic locus notch protein 0.0414 0.1606 0.1606
Echinococcus multilocularis neurogenic locus protein delta 0.0414 0.1606 0.1606
Schistosoma mansoni hypothetical protein 0.0414 0.1606 0.1606
Loa Loa (eye worm) hypothetical protein 0.2369 1 1
Loa Loa (eye worm) Notch2 0.0414 0.1606 0.1606
Loa Loa (eye worm) hypothetical protein 0.0414 0.1606 0.1606
Loa Loa (eye worm) hypothetical protein 0.2369 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.0046 0.0046
Schistosoma mansoni hypothetical protein 0.0414 0.1606 0.1606
Brugia malayi Cadherin domain containing protein 0.0414 0.1606 0.1606
Loa Loa (eye worm) hypothetical protein 0.0414 0.1606 0.1606
Brugia malayi Animal haem peroxidase family protein 0.2369 1 1
Echinococcus granulosus peptidase Clp S14 family 0.0048 0.0035 0.0035
Echinococcus multilocularis protein jagged 1 0.0414 0.1606 0.1606
Leishmania major hypothetical protein, conserved 0.004 0 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0046 0.0046
Loa Loa (eye worm) hypothetical protein 0.0414 0.1606 0.1606
Loa Loa (eye worm) hypothetical protein 0.2369 1 1
Trichomonas vaginalis esterase, putative 0.004 0 0.5
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0073 0.0143 1
Brugia malayi EGF-like domain containing protein 0.0414 0.1606 0.1606
Schistosoma mansoni cell polarity protein 0.0414 0.1606 0.1606
Loa Loa (eye worm) hypothetical protein 0.0414 0.1606 0.1606
Echinococcus granulosus notch 0.0414 0.1606 0.1606
Loa Loa (eye worm) animal heme peroxidase 0.2369 1 1
Onchocerca volvulus 0.0414 0.1606 0.1606
Loa Loa (eye worm) hypothetical protein 0.0414 0.1606 0.1606
Loa Loa (eye worm) animal heme peroxidase 0.2369 1 1
Loa Loa (eye worm) hypothetical protein 0.0414 0.1606 0.1606
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0046 0.0046
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0253 0.0917 1
Loa Loa (eye worm) animal heme peroxidase 0.2369 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.004 0 0.5
Echinococcus granulosus protein jagged 2 0.0414 0.1606 0.1606
Echinococcus granulosus neurogenic locus notch protein 4 0.0414 0.1606 0.1606
Loa Loa (eye worm) hypothetical protein 0.2369 1 1
Echinococcus multilocularis protein jagged 1 0.0414 0.1606 0.1606
Schistosoma mansoni hypothetical protein 0.0414 0.1606 0.1606
Loa Loa (eye worm) hypothetical protein 0.2369 1 1
Onchocerca volvulus Neurogenic locus notch protein homolog 0.0414 0.1606 0.1606
Echinococcus granulosus neural cadherin 0.0414 0.1606 0.1606
Loa Loa (eye worm) hypothetical protein 0.2369 1 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0073 0.0143 0.5
Brugia malayi Animal haem peroxidase family protein 0.2369 1 1
Brugia malayi Calcium binding EGF domain containing protein 0.0414 0.1606 0.1606
Loa Loa (eye worm) hypothetical protein 0.2369 1 1
Onchocerca volvulus Chorion peroxidase homolog 0.2369 1 1
Loa Loa (eye worm) hypothetical protein 0.2369 1 1
Onchocerca volvulus 0.0414 0.1606 0.1606
Brugia malayi notch-like transmembrane receptor 0.0414 0.1606 0.1606
Echinococcus multilocularis fibropellin Ia 0.0414 0.1606 0.1606
Loa Loa (eye worm) hypothetical protein 0.0414 0.1606 0.1606
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0046 0.0046
Echinococcus granulosus delta-like protein 1 0.0414 0.1606 0.1606
Echinococcus granulosus neurogenic locus protein delta 0.0414 0.1606 0.1606
Brugia malayi Peroxidasin 0.2369 1 1
Loa Loa (eye worm) hypothetical protein 0.0414 0.1606 0.1606
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0046 0.0046
Loa Loa (eye worm) hypothetical protein 0.2369 1 1
Schistosoma mansoni peroxidasin 0.2369 1 1
Onchocerca volvulus 0.2369 1 1
Loa Loa (eye worm) hypothetical protein 0.0414 0.1606 0.1606
Onchocerca volvulus 0.2369 1 1
Brugia malayi Blistered cuticle protein 3 0.2369 1 1
Schistosoma mansoni septate junction protein 0.0414 0.1606 0.1606
Schistosoma mansoni notch 0.0414 0.1606 0.1606
Brugia malayi GCC2 and GCC3 family protein 0.0414 0.1606 0.1606
Echinococcus multilocularis notch 0.0414 0.1606 0.1606
Onchocerca volvulus Slit protein homolog 0.0414 0.1606 0.1606
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0073 0.0143 1
Onchocerca volvulus 0.0414 0.1606 0.1606
Schistosoma mansoni hypothetical protein 0.0187 0.0631 0.0631
Echinococcus granulosus geminin 0.0187 0.0631 0.0631
Schistosoma mansoni notch 0.0414 0.1606 0.1606
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0048 0.0035 0.2443
Loa Loa (eye worm) hypothetical protein 0.0414 0.1606 0.1606
Schistosoma mansoni hypothetical protein 0.0414 0.1606 0.1606
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.0046 0.0046
Schistosoma mansoni peptidase Clp (S14 family) 0.0073 0.0143 0.0143
Onchocerca volvulus Neurogenic locus notch homolog 0.0414 0.1606 0.1606
Loa Loa (eye worm) animal heme peroxidase 0.2369 1 1
Brugia malayi Calcium binding EGF domain containing protein 0.0414 0.1606 0.1606
Schistosoma mansoni notch 0.0414 0.1606 0.1606
Echinococcus multilocularis neurogenic locus notch protein 4 0.0414 0.1606 0.1606
Echinococcus granulosus slit 2 protein 0.0414 0.1606 0.1606
Loa Loa (eye worm) hypothetical protein 0.0414 0.1606 0.1606
Brugia malayi EGF-like domain containing protein 0.0414 0.1606 0.1606
Loa Loa (eye worm) hypothetical protein 0.2369 1 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0073 0.0143 0.0143
Schistosoma mansoni notch 0.0414 0.1606 0.1606
Schistosoma mansoni notch 0.0414 0.1606 0.1606
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0073 0.0143 0.5
Echinococcus granulosus protein jagged 1 0.0414 0.1606 0.1606
Echinococcus multilocularis neurogenic locus protein delta 0.0414 0.1606 0.1606
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0046 0.0046
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0046 0.0046
Onchocerca volvulus 0.0414 0.1606 0.1606
Schistosoma mansoni hypothetical protein 0.0414 0.1606 0.1606
Onchocerca volvulus Peroxidase homolog 0.2369 1 1
Loa Loa (eye worm) hypothetical protein 0.2369 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 25 uM Cytotoxicity against human MCF7 cells after 72 hrs by MTT assay ChEMBL. 23792763

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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