Detailed information for compound 1594990

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 333.407 | Formula: C19H15N3OS
  • H donors: 0 H acceptors: 1 LogP: 5.62 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1c2c(nnn1c1ccc3c(c1)cccc3)sc1c2CCCC1
  • InChi: 1S/C19H15N3OS/c23-19-17-15-7-3-4-8-16(15)24-18(17)20-21-22(19)14-10-9-12-5-1-2-6-13(12)11-14/h1-2,5-6,9-11H,3-4,7-8H2
  • InChiKey: UOSDAVNSHWUCEO-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
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0137 0.2152 0.4309
Brugia malayi bZIP transcription factor family protein 0.0097 0.134 0.2683
Loa Loa (eye worm) hypothetical protein 0.0106 0.1526 0.3056
Brugia malayi heat shock protein 90 0.0073 0.0874 0.175
Loa Loa (eye worm) ShTK domain-containing protein 0.0106 0.1526 0.3056
Trypanosoma brucei heat shock protein, putative 0.0073 0.0874 1
Leishmania major heat shock protein 83-1 0.0073 0.0874 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0478 0.0957
Loa Loa (eye worm) DOMON domain-containing protein 0.0053 0.0466 0.0932
Trypanosoma brucei heat shock protein, putative 0.0073 0.0874 1
Onchocerca volvulus 0.0106 0.1526 1
Onchocerca volvulus 0.0065 0.0703 0.4604
Brugia malayi DOMON domain containing protein 0.0053 0.0466 0.0932
Brugia malayi Copper type II ascorbate-dependent monooxygenase, N-terminal domain containing protein 0.0141 0.2236 0.4476
Echinococcus granulosus endoplasmin 0.0058 0.0572 0.1146
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0106 0.1526 0.3056
Loa Loa (eye worm) hypothetical protein 0.0278 0.4995 1
Loa Loa (eye worm) hypothetical protein 0.0278 0.4995 1
Echinococcus granulosus peptidyl glycine alpha amidating monooxygenase 0.0278 0.4995 1
Plasmodium falciparum heat shock protein 90 0.0073 0.0874 1
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0058 0.0572 0.655
Trypanosoma brucei heat shock protein, putative 0.0073 0.0874 1
Echinococcus multilocularis jun protein 0.0097 0.134 0.2683
Plasmodium vivax endoplasmin, putative 0.0073 0.0874 1
Schistosoma mansoni peptidyl-glycine monooxygenase 0.0278 0.4995 0.4995
Toxoplasma gondii heat shock protein HSP90 0.0073 0.0874 1
Schistosoma mansoni tyrosinase precursor 0.0106 0.1526 0.1526
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0085 0.1101 0.2203
Echinococcus multilocularis heat shock protein 0.0073 0.0874 0.175
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0278 0.4995 1
Schistosoma mansoni endoplasmin 0.0073 0.0874 0.0874
Schistosoma mansoni hypothetical protein 0.0078 0.0975 0.0975
Toxoplasma gondii heat shock protein 90, putative 0.0073 0.0874 1
Onchocerca volvulus 0.0065 0.0703 0.4604
Leishmania major heat shock protein 83-1 0.0073 0.0874 1
Trypanosoma brucei heat shock protein 90, putative 0.0073 0.0874 1
Schistosoma mansoni subfamily M14A unassigned peptidase (M14 family) 0.0065 0.0703 0.0703
Leishmania major heat shock protein 83-1 0.0073 0.0874 1
Trypanosoma cruzi heat shock protein 85, putative 0.0058 0.0572 0.655
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0058 0.0572 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0097 0.134 0.2683
Trypanosoma cruzi heat shock protein 85, putative 0.0073 0.0874 1
Trichomonas vaginalis heat shock protein, putative 0.0058 0.0572 0.655
Brugia malayi DOMON domain containing protein 0.0053 0.0466 0.0932
Echinococcus granulosus nuclear factor of activated T cells 5 0.0085 0.1101 0.2203
Trypanosoma cruzi heat shock protein 90, putative 0.0073 0.0874 1
Leishmania major heat shock protein 83-1 0.0073 0.0874 1
Loa Loa (eye worm) DOMON domain-containing protein 0.0053 0.0466 0.0932
Trypanosoma cruzi heat shock protein 90, putative 0.0043 0.0267 0.3058
Onchocerca volvulus 0.0053 0.0466 0.3051
Leishmania major heat shock protein 83-1 0.0073 0.0874 1
Leishmania major heat shock protein 83-1 0.0073 0.0874 1
Schistosoma mansoni endoplasmin 0.0073 0.0874 0.0874
Entamoeba histolytica heat shock protein 90, putative 0.0073 0.0874 1
Trichomonas vaginalis endoplasmin, putative 0.0045 0.0302 0.345
Schistosoma mansoni peptidylglycine monooxygenase 0.0278 0.4995 0.4995
Trichomonas vaginalis heat shock protein, putative 0.0073 0.0874 1
Echinococcus multilocularis peptidyl glycine alpha amidating monooxygenase 0.0278 0.4995 1
Brugia malayi hypothetical protein 0.0076 0.0922 0.1846
Leishmania major heat shock protein 83-1 0.0073 0.0874 1
Onchocerca volvulus 0.0106 0.1526 1
Trypanosoma brucei heat shock protein, putative 0.0073 0.0874 1
Brugia malayi ShTK domain containing protein 0.0106 0.1526 0.3056
Leishmania major heat shock protein 83-1 0.0073 0.0874 1
Onchocerca volvulus 0.0106 0.1526 1
Leishmania major heat shock protein 83-1 0.0073 0.0874 1
Leishmania major heat shock protein 83-1 0.0073 0.0874 1
Echinococcus multilocularis heat shock protein 90 0.0073 0.0874 0.175
Loa Loa (eye worm) tyrosinase 1 0.0106 0.1526 0.3056
Echinococcus multilocularis endoplasmin 0.0058 0.0572 0.1146
Leishmania major heat shock protein 83-1 0.0073 0.0874 1
Schistosoma mansoni heat shock protein 0.0073 0.0874 0.0874
Leishmania major heat shock protein 83-1 0.0073 0.0874 1
Trypanosoma brucei heat shock protein, putative 0.0073 0.0874 1
Loa Loa (eye worm) hypothetical protein 0.0094 0.1287 0.2576
Trypanosoma cruzi heat shock protein 85, putative 0.0073 0.0874 1
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0058 0.0572 0.5
Echinococcus granulosus heat shock protein 0.0073 0.0874 0.175
Leishmania major heat shock protein 83-1 0.0073 0.0874 1
Loa Loa (eye worm) heat shock protein 90 0.0073 0.0874 0.175
Brugia malayi Hypothetical tyrosinase-like protein F21C3.2 in chromosome I 0.0106 0.1526 0.3056
Onchocerca volvulus 0.0065 0.0703 0.4604
Onchocerca volvulus Subfamily M14A unassigned peptidase homolog 0.0065 0.0703 0.4604
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0278 0.4995 1
Giardia lamblia Heat shock protein HSP 90-alpha 0.0073 0.0874 1
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0058 0.0572 0.1146
Trypanosoma brucei heat shock protein, putative 0.0073 0.0874 1
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0106 0.1526 0.3056
Trichomonas vaginalis heat shock protein, putative 0.0058 0.0572 0.655
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0097 0.134 0.2683
Entamoeba histolytica heat shock protein 90, putative 0.0073 0.0874 1
Leishmania major heat shock protein 83-1 0.0073 0.0874 1
Trypanosoma cruzi Heat shock protein 83, putative 0.0073 0.0874 1
Trichomonas vaginalis heat shock protein, putative 0.0045 0.0302 0.345
Leishmania major heat shock protein 83-1 0.0073 0.0874 1
Echinococcus multilocularis heat shock protein 90 0.0058 0.0572 0.1146
Brugia malayi Endoplasmin precursor 0.0073 0.0874 0.175
Schistosoma mansoni jun-related protein 0.0078 0.0975 0.0975
Trypanosoma brucei Heat shock protein 83, putative 0.0073 0.0874 1
Trypanosoma brucei heat shock protein, putative 0.0073 0.0874 1
Mycobacterium ulcerans heat shock protein 90 0.0058 0.0572 0.5
Leishmania major heat shock protein 83-1 0.0073 0.0874 1
Trypanosoma brucei heat shock protein 90, putative 0.0073 0.0874 1
Trypanosoma cruzi heat shock protein 85, putative 0.0073 0.0874 1
Brugia malayi Common central domain of tyrosinase family protein 0.0106 0.1526 0.3056
Trypanosoma brucei heat shock protein, putative 0.0073 0.0874 1
Echinococcus granulosus jun protein 0.0097 0.134 0.2683
Trichomonas vaginalis heat shock protein, putative 0.0058 0.0572 0.655
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0106 0.1526 0.3056
Echinococcus multilocularis subfamily M14A unassigned peptidase 0.0065 0.0703 0.1407
Schistosoma mansoni tyrosinase precursor 0.0106 0.1526 0.1526
Onchocerca volvulus 0.0065 0.0703 0.4604
Loa Loa (eye worm) DOMON domain-containing protein 0.0053 0.0466 0.0932
Plasmodium falciparum endoplasmin, putative 0.0045 0.0302 0.345
Loa Loa (eye worm) hypothetical protein 0.0106 0.1526 0.3056
Echinococcus granulosus subfamily M14A unassigned peptidase 0.0065 0.0703 0.1407
Loa Loa (eye worm) endoplasmin 0.0073 0.0874 0.175
Trypanosoma cruzi heat shock protein 90, putative 0.0058 0.0572 0.655
Schistosoma mansoni heat shock protein 0.0073 0.0874 0.0874
Onchocerca volvulus 0.0053 0.0466 0.3051
Onchocerca volvulus 0.0076 0.0922 0.6041
Treponema pallidum heat shock protein 90 0.0058 0.0572 0.5
Plasmodium vivax heat shock protein 86, putative 0.0073 0.0874 1
Echinococcus granulosus heat shock protein 90 0.0073 0.0874 0.175
Leishmania major heat shock protein 83-1 0.0073 0.0874 1
Onchocerca volvulus 0.0106 0.1526 1
Echinococcus granulosus heat shock protein 90 0.0058 0.0572 0.1146
Loa Loa (eye worm) ShTK domain-containing protein 0.0106 0.1526 0.3056
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0058 0.0572 0.5
Brugia malayi DOMON domain containing protein 0.0053 0.0466 0.0932

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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