Detailed information for compound 432470

Basic information

Technical information
  • TDR Targets ID: 432470
  • Name: 3-benzylsulfanyl-N-phenyl-1H-1,2,4-triazol-5- amine
  • MW: 282.363 | Formula: C15H14N4S
  • H donors: 2 H acceptors: 2 LogP: 3.69 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: c1ccc(cc1)CSc1nnc([nH]1)Nc1ccccc1
  • InChi: 1S/C15H14N4S/c1-3-7-12(8-4-1)11-20-15-17-14(18-19-15)16-13-9-5-2-6-10-13/h1-10H,11H2,(H2,16,17,18,19)
  • InChiKey: QBUZLNWDECJZMT-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

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

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens methionyl aminopeptidase 2 Starlite/ChEMBL References
Homo sapiens methionyl aminopeptidase 1 Starlite/ChEMBL References
Mus musculus methionine aminopeptidase 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Treponema pallidum methionine aminopeptidase (map) Get druggable targets OG5_126721 All targets in OG5_126721
Toxoplasma gondii methionine aminopeptidase Get druggable targets OG5_126721 All targets in OG5_126721
Mycobacterium tuberculosis Methionine aminopeptidase MapA (map) (peptidase M) (MetAP) Get druggable targets OG5_126721 All targets in OG5_126721
Brugia malayi Methionine aminopeptidase protein type I Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium falciparum methionine aminopeptidase 1a, putative Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium berghei methionine aminopeptidase 1b, putative Get druggable targets OG5_126721 All targets in OG5_126721
Leishmania braziliensis methionine aminopeptidase 2, putative Get druggable targets OG5_127231 All targets in OG5_127231
Trypanosoma brucei metallo- peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
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
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 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
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M) Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium knowlesi methionine aminopeptidase 1b, putative Get druggable targets OG5_126721 All targets in OG5_126721
Chlamydia trachomatis methionine aminopeptidase Get druggable targets OG5_126721 All targets in OG5_126721
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 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
Toxoplasma gondii methionine aminopeptidase Get druggable targets OG5_126721 All targets in OG5_126721
Babesia bovis methionine aminopeptidase, putative Get druggable targets OG5_126721 All targets in OG5_126721
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 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
Plasmodium yoelii methionine aminopeptidase, type I Get druggable targets OG5_126721 All targets in OG5_126721
Trypanosoma brucei gambiense methionine aminopeptidase, putative,metallo- peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
Cryptosporidium parvum methionine aminopeptidase with MYND finger at N-terminus Get druggable targets OG5_126721 All targets in OG5_126721
Trypanosoma brucei methionine aminopeptidase, putative Get druggable targets OG5_126721 All targets in OG5_126721
Neospora caninum methionine aminopeptidase, putative Get druggable targets OG5_126721 All targets in OG5_126721
Candida albicans methionine aminopeptidase Get druggable targets OG5_126721 All targets in OG5_126721
Trypanosoma brucei gambiense methionine aminopeptidase 2, putative,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
Wolbachia endosymbiont of Brugia malayi methionine aminopeptidase Get druggable targets OG5_126721 All targets in OG5_126721
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP) Get druggable targets OG5_126721 All targets in OG5_126721
Echinococcus granulosus methionyl aminopeptidase 1 M24 family Get druggable targets OG5_126721 All targets in OG5_126721
Leishmania donovani metallo- peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
Theileria parva methionine aminopeptidase, type II, putative Get druggable targets OG5_127231 All targets in OG5_127231
Plasmodium berghei methionine aminopeptidase 2, putative Get druggable targets OG5_127231 All targets in OG5_127231
Leishmania braziliensis methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) Get druggable targets OG5_126721 All targets in OG5_126721
Echinococcus multilocularis methionyl aminopeptidase 2 Get druggable targets OG5_127231 All targets in OG5_127231
Plasmodium yoelii methionine aminopeptidase, type I, putative Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium vivax 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
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 Get druggable targets OG5_127231 All targets in OG5_127231
Schistosoma japonicum Methionine aminopeptidase 1, putative Get druggable targets OG5_126721 All targets in OG5_126721
Mycobacterium ulcerans methionine aminopeptidase Get druggable targets OG5_126721 All targets in OG5_126721
Leishmania major methionine aminopeptidase 2, putative Get druggable targets OG5_127231 All targets in OG5_127231
Neospora caninum methionine aminopeptidase, putative Get druggable targets OG5_126721 All targets in OG5_126721
Candida albicans methionine aminopeptidase Get druggable targets OG5_127231 All targets in OG5_127231
Trypanosoma congolense metallo- peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
Echinococcus granulosus methionyl aminopeptidase 2 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
Trypanosoma brucei methionine aminopeptidase, type I, putative Get druggable targets OG5_126721 All targets in OG5_126721
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
Trypanosoma brucei methionine aminopeptidase 2, putative 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
Giardia lamblia Methionine aminopeptidase 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_126721 All targets in OG5_126721
Babesia bovis methionine aminopeptidase, putative Get druggable targets OG5_126721 All targets in OG5_126721
Loa Loa (eye worm) methionine aminopeptidase type I Get druggable targets OG5_126721 All targets in OG5_126721
Schistosoma japonicum ko:K01265 methionyl aminopeptidase [EC3.4.11.18], putative Get druggable targets OG5_126721 All targets in OG5_126721
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) Get druggable targets OG5_126721 All targets in OG5_126721
Cryptosporidium parvum methionine aminopeptidase, type II, putative , an1 domain Get druggable targets OG5_127231 All targets in OG5_127231
Leishmania infantum methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
Mycobacterium tuberculosis Methionine aminopeptidase MapB (map) (peptidase M) Get druggable targets OG5_126721 All targets in OG5_126721
Toxoplasma gondii methionine aminopeptidase 2, putative Get druggable targets OG5_127231 All targets in OG5_127231
Plasmodium falciparum methionine aminopeptidase 1b, putative Get druggable targets OG5_126721 All targets in OG5_126721
Toxoplasma gondii methionine aminopeptidase, type i, putative Get druggable targets OG5_126721 All targets in OG5_126721
Theileria parva methionine aminopeptidase, type I, putative Get druggable targets OG5_126721 All targets in OG5_126721
Neospora caninum hypothetical 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
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) Get druggable targets OG5_126721 All targets in OG5_126721
Schistosoma japonicum ko:K01265 methionyl aminopeptidase [EC3.4.11.18], putative Get druggable targets OG5_127231 All targets in OG5_127231
Cryptosporidium hominis methionine aminopeptidase 1 (MetAP 1) (MAP 1) (Peptidase M 1) Get druggable targets OG5_126721 All targets in OG5_126721
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 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
Onchocerca volvulus Methionine aminopeptidase 2 homolog Get druggable targets OG5_127231 All targets in OG5_127231
Plasmodium vivax methionine aminopeptidase 1a, putative Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium knowlesi methionine aminopeptidase 1a, putative Get druggable targets OG5_126721 All targets in OG5_126721
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium vivax methionine aminopeptidase 1b, putative Get druggable targets OG5_126721 All targets in OG5_126721
Trypanosoma congolense metallo-peptidase, Clan MG, Family M24 Get druggable targets OG5_127231 All targets in OG5_127231
Candida albicans methionine aminopeptidase Get druggable targets OG5_126721 All targets in OG5_126721
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) Get druggable targets OG5_126721 All targets in OG5_126721
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 Get druggable targets OG5_127231 All targets in OG5_127231
Plasmodium berghei methionine aminopeptidase 1a, putative Get druggable targets OG5_126721 All targets in OG5_126721
Leishmania mexicana methionine aminopeptidase Get druggable targets OG5_126721 All targets in OG5_126721
Leishmania major methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
Mycobacterium ulcerans methionine aminopeptidase MapB Get druggable targets OG5_126721 All targets in OG5_126721
Schistosoma mansoni methionyl aminopeptidase 2 (M24 family) 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
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 Get druggable targets OG5_127231 All targets in OG5_127231
Neospora caninum methionine aminopeptidase, putative Get druggable targets OG5_126721 All targets in OG5_126721
Theileria parva methionine aminopeptidase, type I, putative Get druggable targets OG5_126721 All targets in OG5_126721

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii methionine aminopeptidase 2, putative methionyl aminopeptidase 1 386 aa 313 aa 20.4 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0067 0.302 0.302
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP) 0.0048 0.0146 0.5
Echinococcus multilocularis nmda type glutamate receptor 0.0076 0.4255 0.4255
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0048 0.0146 0.0146
Echinococcus multilocularis glutamate receptor NMDA 0.0069 0.3289 0.3289
Entamoeba histolytica methionine aminopeptidase, putative 0.011 0.9096 0.5
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.011 0.9096 0.5
Leishmania major methionine aminopeptidase 2, putative 0.011 0.9096 1
Plasmodium vivax methionine aminopeptidase 2, putative 0.011 0.9096 1
Wolbachia endosymbiont of Brugia malayi methionine aminopeptidase 0.0048 0.0146 0.5
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 0.011 0.9096 1
Echinococcus multilocularis nmda type glutamate receptor 0.0116 1 1
Mycobacterium tuberculosis Methionine aminopeptidase MapA (map) (peptidase M) (MetAP) 0.0048 0.0146 0.5
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M) 0.0048 0.0146 0.5
Loa Loa (eye worm) initiation factor 2-associated protein 0.011 0.9096 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.011 0.9096 0.5
Echinococcus granulosus nmda type glutamate receptor 0.0076 0.4255 0.1769
Trypanosoma brucei methionine aminopeptidase 2, putative 0.011 0.9096 1
Onchocerca volvulus Methionine aminopeptidase 2 homolog 0.011 0.9096 0.5
Echinococcus granulosus methionyl aminopeptidase 2 0.011 0.9096 0.8705
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.011 0.9096 1
Mycobacterium ulcerans methionine aminopeptidase MapB 0.0048 0.0146 0.5
Schistosoma mansoni methionyl aminopeptidase 2 (M24 family) 0.011 0.9096 1
Giardia lamblia Methionine aminopeptidase 0.011 0.9096 0.5
Treponema pallidum methionine aminopeptidase (map) 0.0048 0.0146 0.5
Mycobacterium ulcerans methionine aminopeptidase 0.0048 0.0146 0.5
Chlamydia trachomatis methionine aminopeptidase 0.0048 0.0146 0.5
Toxoplasma gondii methionine aminopeptidase 2, putative 0.011 0.9096 1
Plasmodium falciparum methionine aminopeptidase 1b, putative 0.0067 0.302 0.3211
Plasmodium vivax methionine aminopeptidase 1b, putative 0.0067 0.302 0.3211
Toxoplasma gondii methionine aminopeptidase 0.0067 0.302 0.3211
Brugia malayi initiation factor 2-associated protein. 0.011 0.9096 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.011 0.9096 0.5
Echinococcus multilocularis methionyl aminopeptidase 2 0.011 0.9096 0.9096
Plasmodium falciparum methionine aminopeptidase 2 0.011 0.9096 1
Schistosoma mansoni glutamate receptor NMDA 0.0089 0.6138 0.6695
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.011 0.9096 0.5
Mycobacterium tuberculosis Methionine aminopeptidase MapB (map) (peptidase M) 0.0048 0.0146 0.5
Echinococcus granulosus glutamate receptor NMDA 0.0069 0.3289 0.0386
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.011 0.9096 1

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 0.5 nM Inhibition of human recombinant MetAP2 ChEMBL. 17636946
Ki (binding) = 2 nM Inhibition of mouse recombinant MetAP2 ChEMBL. 17636946
Ki (binding) = 180 nM Inhibition of human recombinant Mn2+-MetAP2 ChEMBL. 17636946
Ki (binding) = 3900 nM Inhibition of human recombinant MetAP1 ChEMBL. 17636946
Ki app (binding) = 0.5 nM Inhibition of human recombinant MetAP2 ChEMBL. 17636946
Ki app (binding) = 2 nM Inhibition of mouse recombinant MetAP2 ChEMBL. 17636946
Ki app (binding) = 180 nM Inhibition of human recombinant Mn2+-MetAP2 ChEMBL. 17636946
Ki app (binding) = 3900 nM Inhibition of human recombinant MetAP1 ChEMBL. 17636946
Ki_app (binding) = 0.5 nM Inhibition of human recombinant Co2+-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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.