Detailed information for compound 930664

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 373.428 | Formula: C21H15N3O2S
  • H donors: 0 H acceptors: 4 LogP: 4.22 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(cc1)c1ccccc1)CSc1nnc(o1)c1cccnc1
  • InChi: 1S/C21H15N3O2S/c25-19(17-10-8-16(9-11-17)15-5-2-1-3-6-15)14-27-21-24-23-20(26-21)18-7-4-12-22-13-18/h1-13H,14H2
  • InChiKey: GXFSZIMYOQFMNS-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
Loa Loa (eye worm) hypothetical protein 0.0161 0.2452 0.2887
Brugia malayi Muscleblind-like protein 0.0087 0.0651 0.0767
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0138 0.1883 1
Loa Loa (eye worm) hypothetical protein 0.0411 0.8493 1
Loa Loa (eye worm) trypsin family protein 0.0149 0.2163 0.2546
Onchocerca volvulus 0.0411 0.8493 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0149 0.2163 0.2546
Schistosoma mansoni hypothetical protein 0.0149 0.2163 0.2546
Loa Loa (eye worm) hypothetical protein 0.0149 0.2163 0.2546
Schistosoma mansoni cercarial elastase (S01 family) 0.0149 0.2163 0.2546
Brugia malayi Carboxylesterase family protein 0.0161 0.2452 0.2887
Loa Loa (eye worm) hypothetical protein 0.0149 0.2163 0.2546
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0411 0.8493 1
Loa Loa (eye worm) hypothetical protein 0.0087 0.0651 0.0767
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0149 0.2163 0.2546
Schistosoma mansoni cercarial elastase (S01 family) 0.0149 0.2163 0.2546
Echinococcus granulosus tissue type plasminogen activator 0.0411 0.8493 1
Echinococcus multilocularis tumor protein p63 0.0197 0.3316 0.3316
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0149 0.2163 0.2546
Echinococcus multilocularis transmembrane protease serine 3 0.0149 0.2163 0.2163
Brugia malayi Trypsin family protein 0.0149 0.2163 0.2546
Echinococcus granulosus transmembrane protease serine 3 0.0149 0.2163 0.2546
Echinococcus multilocularis muscleblind protein 1 0.0087 0.0651 0.0651
Brugia malayi hypothetical protein 0.0149 0.2163 0.2546
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0149 0.2163 0.2163
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0138 0.1883 1
Loa Loa (eye worm) hypothetical protein 0.0149 0.2163 0.2546
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0149 0.2163 0.2546
Schistosoma mansoni cercarial elastase (S01 family) 0.0149 0.2163 0.2546
Echinococcus multilocularis muscleblind protein 0.0087 0.0651 0.0651
Schistosoma mansoni cercarial elastase (S01 family) 0.0149 0.2163 0.2546
Schistosoma mansoni hypothetical protein 0.0149 0.2163 0.2546
Echinococcus granulosus tumor protein p63 0.0197 0.3316 0.3904
Schistosoma mansoni cercarial elastase (S01 family) 0.0149 0.2163 0.2546
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0149 0.2163 0.2546
Schistosoma mansoni cercarial elastase (S01 family) 0.0149 0.2163 0.2546
Schistosoma mansoni cercarial elastase (S01 family) 0.0149 0.2163 0.2546
Brugia malayi Trypsin family protein 0.0149 0.2163 0.2546
Mycobacterium ulcerans hypothetical protein 0.0149 0.2163 1
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0149 0.2163 0.2546
Echinococcus multilocularis carboxylesterase 5A 0.0161 0.2452 0.2452
Brugia malayi Carboxylesterase family protein 0.0161 0.2452 0.2887
Loa Loa (eye worm) TK/ROR protein kinase 0.0411 0.8493 1
Loa Loa (eye worm) carboxylesterase 0.0161 0.2452 0.2887
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0149 0.2163 0.2546
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0149 0.2163 0.2546
Loa Loa (eye worm) hypothetical protein 0.0149 0.2163 0.2546
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0138 0.1883 0.2217
Loa Loa (eye worm) hypothetical protein 0.0161 0.2452 0.2887
Trypanosoma cruzi hypothetical protein, conserved 0.0411 0.8493 0.5
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0138 0.1883 0.8707
Schistosoma mansoni cercarial elastase (S01 family) 0.0149 0.2163 0.2546
Loa Loa (eye worm) hypothetical protein 0.0149 0.2163 0.2546
Schistosoma mansoni cercarial elastase (S01 family) 0.0149 0.2163 0.2546
Brugia malayi Protein kinase domain containing protein 0.0411 0.8493 1
Trichomonas vaginalis hypothetical protein 0.0138 0.1883 0.5
Echinococcus multilocularis acetylcholinesterase 0.0161 0.2452 0.2452
Echinococcus granulosus glycoprotein Antigen 5 0.0149 0.2163 0.2546
Plasmodium falciparum cysteine repeat modular protein 1 0.0411 0.8493 1
Echinococcus multilocularis glycoprotein Antigen 5 0.0149 0.2163 0.2163
Echinococcus granulosus Mastin 0.0149 0.2163 0.2546
Brugia malayi Trypsin family protein 0.0149 0.2163 0.2546
Echinococcus multilocularis Mastin 0.0149 0.2163 0.2163
Brugia malayi Kringle domain containing protein 0.0411 0.8493 1
Loa Loa (eye worm) hypothetical protein 0.0149 0.2163 0.2546
Echinococcus multilocularis enteropeptidase 0.0149 0.2163 0.2163
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0149 0.2163 0.2546
Echinococcus granulosus carboxylesterase 5A 0.0161 0.2452 0.2887
Toxoplasma gondii kringle domain-containing protein 0.0411 0.8493 1
Echinococcus granulosus enteropeptidase 0.0149 0.2163 0.2546
Brugia malayi Trypsin family protein 0.0149 0.2163 0.2546
Echinococcus granulosus muscleblind protein 0.0087 0.0651 0.0767
Echinococcus granulosus acetylcholinesterase 0.0161 0.2452 0.2887
Echinococcus granulosus acetylcholinesterase 0.0161 0.2452 0.2887
Brugia malayi Trypsin-like protease protein 5 0.0149 0.2163 0.2546
Echinococcus multilocularis acetylcholinesterase 0.0161 0.2452 0.2452
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0161 0.2452 0.2887
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0138 0.1883 0.5
Schistosoma mansoni cercarial elastase (S01 family) 0.0149 0.2163 0.2546
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0149 0.2163 0.2546
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0138 0.1883 0.5
Loa Loa (eye worm) hypothetical protein 0.0149 0.2163 0.2546
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0149 0.2163 0.2163
Loa Loa (eye worm) hypothetical protein 0.0087 0.0651 0.0767
Schistosoma mansoni hypothetical protein 0.0411 0.8493 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0149 0.2163 0.2546
Schistosoma mansoni cercarial elastase (S01 family) 0.0149 0.2163 0.2546
Loa Loa (eye worm) acetylcholinesterase 1 0.0161 0.2452 0.2887
Echinococcus multilocularis tissue type plasminogen activator 0.0411 0.8493 0.8493
Leishmania major hypothetical protein, conserved 0.0411 0.8493 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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