Detailed information for compound 288685

Basic information

Technical information
  • TDR Targets ID: 288685
  • Name: N'-[(2S,3R)-3-amino-2-hydroxy-5-propan-2-ylsu lfanylpentanoyl]-3-chlorobenzohydrazide
  • MW: 359.871 | Formula: C15H22ClN3O3S
  • H donors: 4 H acceptors: 3 LogP: 1.65 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(SCC[C@H]([C@@H](C(=O)NNC(=O)c1cccc(c1)Cl)O)N)C
  • InChi: 1S/C15H22ClN3O3S/c1-9(2)23-7-6-12(17)13(20)15(22)19-18-14(21)10-4-3-5-11(16)8-10/h3-5,8-9,12-13,20H,6-7,17H2,1-2H3,(H,18,21)(H,19,22)/t12-,13+/m1/s1
  • InChiKey: BYBVYIPUGPZRSX-OLZOCXBDSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N'-[(2S,3R)-3-amino-2-hydroxy-5-isopropylsulfanyl-pentanoyl]-3-chloro-benzohydrazide
  • N'-[(2S,3R)-3-amino-2-hydroxy-5-(isopropylthio)-1-oxopentyl]-3-chlorobenzohydrazide
  • N'-[(2S,3R)-3-azanyl-2-hydroxy-5-propan-2-ylsulfanyl-pentanoyl]-3-chloro-benzohydrazide
  • N'-[(2S,3R)-3-amino-2-hydroxy-5-(isopropylthio)pentanoyl]-3-chloro-benzohydrazide
  • A357300
  • N'-[(2S,3R)-3-amino-2-hydroxy-5-propan-2-ylsulfanyl-pentanoyl]-3-chloro-benzohydrazide
  • AO5
  • N'-((2S,3R)-3-AMINO-2-HYDROXY-5-(ISOPROPYLSULFANYL)PENTANOYL)-N-3-CHLOROBENZOYL HYDRAZIDE

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
Leishmania major methionine aminopeptidase 2, putative 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
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
Schistosoma mansoni methionyl aminopeptidase 2 (M24 family) 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
Trypanosoma brucei gambiense methionine aminopeptidase 2, putative,metallo- peptidase, Clan MG, Family M24 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
Plasmodium falciparum methionine aminopeptidase 2 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
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase Get druggable targets OG5_127231 All targets in OG5_127231
Giardia lamblia Methionine aminopeptidase 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
Leishmania braziliensis methionine aminopeptidase 2, 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
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 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
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_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 knowlesi methionine aminopeptidase 2, putative 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
Toxoplasma gondii 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
Babesia bovis methionine aminopeptidase, type II family protein 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
Brugia malayi initiation factor 2-associated protein. 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
Candida albicans methionine aminopeptidase 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
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 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
Entamoeba histolytica methionine aminopeptidase, 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
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
Treponema pallidum phospho-N-acetylmuramoyl-pentapeptide-transferase (mraY) 0.8796 0.379 1
Giardia lamblia UDP-N-acetylglucosamine-dolichyl-phosphateN-acetylglucosaminephosphotransferase 0.0972 0.0403 1
Plasmodium vivax N-acetylglucosamine-1-phosphate transferase, putative 0.0972 0.0403 1
Mycobacterium tuberculosis Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 2.3142 1 1
Plasmodium vivax methionine aminopeptidase 2, putative 0.0057 0.0007 0.0172
Leishmania major methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 0.0061 0.0009 0.0043
Echinococcus multilocularis UDP N acetylglucosamine dolichyl phosphate 0.0972 0.0403 1
Trichomonas vaginalis glucosaminephosphotransferase, putative 0.0972 0.0403 1
Mycobacterium ulcerans undecapaprenyl-phosphate alpha-N-acetylglucosaminyltransferase Rfe 0.0972 0.0403 0.0403
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0972 0.0403 1
Leishmania major UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0972 0.0403 1
Schistosoma mansoni methionyl aminopeptidase 2 (M24 family) 0.0057 0.0007 0.0172
Echinococcus granulosus UDP N acetylglucosamine dolichyl phosphate 0.0972 0.0403 1
Trypanosoma brucei UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0972 0.0403 1
Echinococcus granulosus methionyl aminopeptidase 1 M24 family 0.0061 0.0009 0.0043
Chlamydia trachomatis phospho-N-acetylmuramoyl-pentapeptide-transferase 0.8796 0.379 1
Plasmodium vivax methionine aminopeptidase 1b, putative 0.0061 0.0009 0.0214
Plasmodium falciparum UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0972 0.0403 1
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0972 0.0403 1
Wolbachia endosymbiont of Brugia malayi phospho-N-acetylmuramoyl-pentapeptide-transferase 2.3142 1 1
Toxoplasma gondii methionine aminopeptidase 2, putative 0.0057 0.0007 0.0172
Plasmodium falciparum methionine aminopeptidase 1b, putative 0.0061 0.0009 0.0214
Trypanosoma brucei methionine aminopeptidase, putative 0.0061 0.0009 0.0043
Brugia malayi Methionine aminopeptidase protein type I 0.0061 0.0009 0.0043
Plasmodium falciparum methionine aminopeptidase 2 0.0057 0.0007 0.0172
Mycobacterium ulcerans phospho-N-acetylmuramoyl-pentapeptide-transferase 2.3142 1 1
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0061 0.0009 0.0043
Echinococcus multilocularis methionyl aminopeptidase 2 0.0057 0.0007 0.0172
Brugia malayi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0972 0.0403 1
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0972 0.0403 1
Onchocerca volvulus 0.0972 0.0403 1
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0061 0.0009 0.0214
Loa Loa (eye worm) hypothetical protein 0.0972 0.0403 1
Trypanosoma brucei metallo- peptidase, Clan MG, Family M24 0.0061 0.0009 0.0043
Loa Loa (eye worm) methionine aminopeptidase type I 0.0061 0.0009 0.0043
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0972 0.0403 1
Toxoplasma gondii glycosyl transferase, group 4 family protein 0.0972 0.0403 1
Toxoplasma gondii methionine aminopeptidase 0.0061 0.0009 0.0214
Trypanosoma brucei methionine aminopeptidase, type I, putative 0.0061 0.0009 0.0043
Entamoeba histolytica UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0972 0.0403 1
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0061 0.0009 0.0043

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 100 nM Inhibitory activity of the compound against proliferation of human microvascular endothelial cell ChEMBL. 15012983
IC50 (functional) = 100 nM Inhibitory activity of the compound against proliferation of human microvascular endothelial cell ChEMBL. 15012983
IC50 (binding) = 0.11 uM Inhibitory activity against human methionine aminopeptidase-2 ChEMBL. 15012983
IC50 (binding) = 0.11 uM Inhibitory activity against human methionine aminopeptidase-2 ChEMBL. 15012983
IC50 (binding) = 56 uM Inhibitory activity against human methionine aminopeptidase-1 ChEMBL. 15012983
IC50 (binding) = 56 uM Inhibitory activity against human methionine aminopeptidase-1 ChEMBL. 15012983

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 15012983

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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