Detailed information for compound 432607

Basic information

Technical information
  • TDR Targets ID: 432607
  • Name: 3-benzylsulfanyl-N-(2-phenylphenyl)-1H-1,2,4- triazol-5-amine
  • MW: 358.459 | Formula: C21H18N4S
  • H donors: 2 H acceptors: 2 LogP: 5.31 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: c1ccc(cc1)CSc1nnc([nH]1)Nc1ccccc1c1ccccc1
  • InChi: 1S/C21H18N4S/c1-3-9-16(10-4-1)15-26-21-23-20(24-25-21)22-19-14-8-7-13-18(19)17-11-5-2-6-12-17/h1-14H,15H2,(H2,22,23,24,25)
  • InChiKey: ADMIGCHPABJGNF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(benzylthio)-N-(2-phenylphenyl)-1H-1,2,4-triazol-5-amine
  • [3-(benzylthio)-1H-1,2,4-triazol-5-yl]-(2-phenylphenyl)amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens methionyl aminopeptidase 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium berghei methionine aminopeptidase 2, putative Get druggable targets OG5_127231 All targets in OG5_127231
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 Get druggable targets OG5_127231 All targets in OG5_127231
Entamoeba histolytica methionine aminopeptidase, putative Get druggable targets OG5_127231 All targets in OG5_127231
Candida albicans methionine aminopeptidase Get druggable targets OG5_127231 All targets in OG5_127231
Babesia bovis methionine aminopeptidase, type II family protein Get druggable targets OG5_127231 All targets in OG5_127231
Leishmania infantum methionine aminopeptidase 2, putative Get druggable targets OG5_127231 All targets in OG5_127231
Trypanosoma congolense metallo-peptidase, Clan MG, Family M24 Get druggable targets OG5_127231 All targets in OG5_127231
Loa Loa (eye worm) initiation factor 2-associated protein Get druggable targets OG5_127231 All targets in OG5_127231
Plasmodium vivax methionine aminopeptidase 2, putative Get druggable targets OG5_127231 All targets in OG5_127231
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase Get druggable targets OG5_127231 All targets in OG5_127231
Theileria parva methionine aminopeptidase, type II, putative Get druggable targets OG5_127231 All targets in OG5_127231
Schistosoma japonicum ko:K01265 methionyl aminopeptidase [EC3.4.11.18], putative Get druggable targets OG5_127231 All targets in OG5_127231
Plasmodium falciparum methionine aminopeptidase 2 Get druggable targets OG5_127231 All targets in OG5_127231
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 Get druggable targets OG5_127231 All targets in OG5_127231
Cryptosporidium hominis methionine aminopeptidase, type II Get druggable targets OG5_127231 All targets in OG5_127231
Onchocerca volvulus Methionine aminopeptidase 2 homolog Get druggable targets OG5_127231 All targets in OG5_127231
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 Get druggable targets OG5_127231 All targets in OG5_127231
Leishmania donovani metallo-peptidase, Clan MG, Family M24 Get druggable targets OG5_127231 All targets in OG5_127231
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase Get druggable targets OG5_127231 All targets in OG5_127231
Trypanosoma brucei methionine aminopeptidase 2, putative Get druggable targets OG5_127231 All targets in OG5_127231
Neospora caninum hypothetical protein Get druggable targets OG5_127231 All targets in OG5_127231
Leishmania mexicana methionine aminopeptidase 2, putative Get druggable targets OG5_127231 All targets in OG5_127231
Echinococcus multilocularis methionyl aminopeptidase 2 Get druggable targets OG5_127231 All targets in OG5_127231
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase Get druggable targets OG5_127231 All targets in OG5_127231
Cryptosporidium parvum methionine aminopeptidase, type II, putative , an1 domain Get druggable targets OG5_127231 All targets in OG5_127231
Giardia lamblia Methionine aminopeptidase Get druggable targets OG5_127231 All targets in OG5_127231
Candida albicans methionine aminopeptidase Get druggable targets OG5_127231 All targets in OG5_127231
Trypanosoma brucei gambiense methionine aminopeptidase 2, putative,metallo- peptidase, Clan MG, Family M24 Get druggable targets OG5_127231 All targets in OG5_127231
Leishmania major methionine aminopeptidase 2, putative Get druggable targets OG5_127231 All targets in OG5_127231
Brugia malayi initiation factor 2-associated protein. Get druggable targets OG5_127231 All targets in OG5_127231
Plasmodium knowlesi methionine aminopeptidase 2, putative Get druggable targets OG5_127231 All targets in OG5_127231
Echinococcus granulosus methionyl aminopeptidase 2 Get druggable targets OG5_127231 All targets in OG5_127231
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase Get druggable targets OG5_127231 All targets in OG5_127231
Toxoplasma gondii methionine aminopeptidase 2, putative Get druggable targets OG5_127231 All targets in OG5_127231
Leishmania braziliensis methionine aminopeptidase 2, putative Get druggable targets OG5_127231 All targets in OG5_127231
Plasmodium yoelii methionine aminopeptidase, type II, putative Get druggable targets OG5_127231 All targets in OG5_127231
Schistosoma mansoni methionyl aminopeptidase 2 (M24 family) Get druggable targets OG5_127231 All targets in OG5_127231
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
Schistosoma mansoni NADPH flavin oxidoreductase 0.0251 0.1964 0.0151
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0498 1 1
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0498 1 1
Loa Loa (eye worm) FAD binding domain-containing protein 0.0498 1 1
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0307 0.3805 0.2407
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0498 1 0.5
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0498 1 1
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0498 1 1
Toxoplasma gondii flavodoxin domain-containing protein 0.0247 0.1841 0.5
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0498 1 1
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0498 1 1
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0498 1 1
Trichomonas vaginalis sulfite reductase, putative 0.0498 1 1
Loa Loa (eye worm) FAD binding domain-containing protein 0.0307 0.3805 0.3805
Plasmodium vivax flavodoxin domain containing protein 0.0441 0.8159 0.8159
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0498 1 1
Giardia lamblia Hypothetical protein 0.0441 0.8159 0.5
Leishmania major cytochrome P450 reductase, putative 0.0441 0.8159 0.8159
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0498 1 1
Entamoeba histolytica type A flavoprotein, putative 0.019 0 0.5
Schistosoma mansoni cytochrome P450 reductase 0.0498 1 1
Loa Loa (eye worm) hypothetical protein 0.0498 1 1
Entamoeba histolytica type A flavoprotein, putative 0.019 0 0.5
Plasmodium falciparum nitric oxide synthase, putative 0.0498 1 1
Leishmania major p450 reductase, putative 0.0498 1 1
Entamoeba histolytica type A flavoprotein, putative 0.019 0 0.5
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0498 1 1
Entamoeba histolytica type A flavoprotein, putative 0.019 0 0.5
Trypanosoma cruzi p450 reductase, putative 0.0498 1 1
Chlamydia trachomatis sulfite reductase 0.0307 0.3805 0.5
Giardia lamblia Nitric oxide synthase, inducible 0.0441 0.8159 0.5
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0441 0.8159 0.8159
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0498 1 1
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0498 1 1
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0498 1 1
Entamoeba histolytica type A flavoprotein, putative 0.019 0 0.5
Toxoplasma gondii flavodoxin domain-containing protein 0.0247 0.1841 0.5
Brugia malayi FAD binding domain containing protein 0.0498 1 1
Brugia malayi FAD binding domain containing protein 0.0307 0.3805 0.3805
Treponema pallidum flavodoxin 0.019 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 740 nM Inhibition of human recombinant MetAP2 ChEMBL. 17636946
Ki app (binding) = 740 nM Inhibition of human recombinant MetAP2 ChEMBL. 17636946

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

1 literature reference was collected for this gene.

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