Detailed information for compound 288690

Basic information

Technical information
  • TDR Targets ID: 288690
  • Name: (2S,3R)-3-amino-2-hydroxy-N-[(1S)-1-naphthale n-1-ylethyl]-5-propan-2-ylsulfanylpentanamide
  • MW: 360.514 | Formula: C20H28N2O2S
  • H donors: 3 H acceptors: 2 LogP: 3 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(SCC[C@H]([C@@H](C(=O)N[C@H](c1cccc2c1cccc2)C)O)N)C
  • InChi: 1S/C20H28N2O2S/c1-13(2)25-12-11-18(21)19(23)20(24)22-14(3)16-10-6-8-15-7-4-5-9-17(15)16/h4-10,13-14,18-19,23H,11-12,21H2,1-3H3,(H,22,24)/t14-,18+,19-/m0/s1
  • InChiKey: HQRKQOZKBUIGKJ-KYNGSXCRSA-N  

Network

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Synonyms

  • (2S,3R)-3-amino-2-hydroxy-5-isopropylsulfanyl-N-[(1S)-1-(1-naphthyl)ethyl]pentanamide
  • (2S,3R)-3-amino-2-hydroxy-5-(isopropylthio)-N-[(1S)-1-(1-naphthalenyl)ethyl]pentanamide
  • (2S,3R)-3-azanyl-2-hydroxy-N-[(1S)-1-naphthalen-1-ylethyl]-5-propan-2-ylsulfanyl-pentanamide
  • (2S,3R)-3-amino-2-hydroxy-5-(isopropylthio)-N-[(1S)-1-(1-naphthyl)ethyl]valeramide
  • (2S,3R)-3-amino-2-hydroxy-5-(isopropylthio)-N-[(1S)-1-(1-naphthyl)ethyl]pentanamide
  • (2S,3R)-3-amino-2-hydroxy-N-[(1S)-1-naphthalen-1-ylethyl]-5-propan-2-ylsulfanyl-pentanamide

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

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium vivax methionine aminopeptidase 2, putative 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
Leishmania braziliensis methionine aminopeptidase 2, putative 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
Cryptosporidium hominis methionine aminopeptidase 1 (MetAP 1) (MAP 1) (Peptidase M 1) Get druggable targets OG5_126721 All targets in OG5_126721
Giardia lamblia Methionine aminopeptidase Get druggable targets OG5_127231 All targets in OG5_127231
Candida albicans 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
Cryptosporidium parvum methionine aminopeptidase, type II, putative , an1 domain 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
Babesia bovis methionine aminopeptidase, putative Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium knowlesi methionine aminopeptidase 2, putative 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
Candida albicans methionine aminopeptidase Get druggable targets OG5_127231 All targets in OG5_127231
Plasmodium falciparum methionine aminopeptidase 1a, putative Get druggable targets OG5_126721 All targets in OG5_126721
Trypanosoma congolense metallo- peptidase, Clan MG, Family M24 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
Toxoplasma gondii methionine aminopeptidase Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium berghei methionine aminopeptidase 2, putative 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
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 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
Echinococcus multilocularis methionyl aminopeptidase 2 Get druggable targets OG5_127231 All targets in OG5_127231
Loa Loa (eye worm) methionine aminopeptidase type I 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
Trypanosoma cruzi 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
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
Cryptosporidium hominis methionine aminopeptidase, type II 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
Loa Loa (eye worm) initiation factor 2-associated protein Get druggable targets OG5_127231 All targets in OG5_127231
Leishmania donovani metallo- peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
Leishmania infantum methionine aminopeptidase 2, 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
Trypanosoma brucei methionine aminopeptidase, type I, putative 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
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 Get druggable targets OG5_127231 All targets in OG5_127231
Plasmodium knowlesi methionine aminopeptidase 1b, putative Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium yoelii methionine aminopeptidase, type I Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium berghei methionine aminopeptidase 1a, putative 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
Neospora caninum methionine aminopeptidase, putative Get druggable targets OG5_126721 All targets in OG5_126721
Leishmania braziliensis methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
Trypanosoma brucei metallo- peptidase, Clan MG, Family M24 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
Cryptosporidium parvum methionine aminopeptidase with MYND finger at N-terminus 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
Plasmodium vivax methionine aminopeptidase 1b, 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
Schistosoma japonicum Methionine aminopeptidase 1, putative Get druggable targets OG5_126721 All targets in OG5_126721
Treponema pallidum methionine aminopeptidase (map) 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
Candida albicans 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
Theileria parva methionine aminopeptidase, type I, putative 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
Toxoplasma gondii methionine aminopeptidase 2, putative 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 cruzi metallo- peptidase, Clan MG, Family M24 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
Trypanosoma brucei gambiense methionine aminopeptidase, putative,metallo- peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
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
Leishmania infantum methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M) 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
Chlamydia trachomatis methionine aminopeptidase Get druggable targets OG5_126721 All targets in OG5_126721
Brugia malayi initiation factor 2-associated protein. Get druggable targets OG5_127231 All targets in OG5_127231
Plasmodium berghei methionine aminopeptidase 1b, 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
Candida albicans methionine aminopeptidase 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
Schistosoma japonicum ko:K01265 methionyl aminopeptidase [EC3.4.11.18], putative Get druggable targets OG5_127231 All targets in OG5_127231
Toxoplasma gondii methionine aminopeptidase 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
Leishmania mexicana methionine aminopeptidase 2, putative Get druggable targets OG5_127231 All targets in OG5_127231
Mycobacterium ulcerans methionine aminopeptidase MapB 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
Entamoeba histolytica methionine aminopeptidase, 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
Schistosoma japonicum ko:K01265 methionyl aminopeptidase [EC3.4.11.18], 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 falciparum methionine aminopeptidase 1b, 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
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP) 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
Babesia bovis methionine aminopeptidase, type II family protein 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
Mycobacterium tuberculosis Methionine aminopeptidase MapB (map) (peptidase M) 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
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 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
Plasmodium falciparum methionine aminopeptidase 1b, putative 0.0061 1 1
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.0041 0.2986 0.347
Trypanosoma brucei metallo- peptidase, Clan MG, Family M24 0.0061 1 1
Loa Loa (eye worm) methionine aminopeptidase type I 0.0061 1 1
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.0041 0.2986 0.347
Loa Loa (eye worm) initiation factor 2-associated protein 0.0057 0.8606 0.8606
Onchocerca volvulus Methionine aminopeptidase 2 homolog 0.0057 0.8606 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0057 0.8606 0.5
Mycobacterium tuberculosis Methionine aminopeptidase MapB (map) (peptidase M) 0.0041 0.2986 0.5
Entamoeba histolytica methionine aminopeptidase, putative 0.0057 0.8606 0.5
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP) 0.0041 0.2986 0.5
Wolbachia endosymbiont of Brugia malayi methionine aminopeptidase 0.0041 0.2986 0.5
Mycobacterium tuberculosis Methionine aminopeptidase MapA (map) (peptidase M) (MetAP) 0.0041 0.2986 0.5
Leishmania major methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 0.0061 1 1
Mycobacterium ulcerans methionine aminopeptidase 0.0041 0.2986 0.5
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0057 0.8606 0.5
Chlamydia trachomatis methionine aminopeptidase 0.0041 0.2986 0.5
Trypanosoma brucei methionine aminopeptidase, type I, putative 0.0061 1 1
Plasmodium falciparum methionine aminopeptidase 2 0.0057 0.8606 0.8012
Echinococcus granulosus methionyl aminopeptidase 2 0.0057 0.8606 0.8606
Brugia malayi initiation factor 2-associated protein. 0.0057 0.8606 0.8606
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0057 0.8606 0.5
Mycobacterium ulcerans methionine aminopeptidase MapB 0.0041 0.2986 0.5
Treponema pallidum methionine aminopeptidase (map) 0.0041 0.2986 0.5
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0061 1 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0057 0.8606 0.5
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0061 1 1
Giardia lamblia Methionine aminopeptidase 0.0057 0.8606 0.5
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M) 0.0041 0.2986 0.5
Echinococcus granulosus methionyl aminopeptidase 1 M24 family 0.0061 1 1
Plasmodium vivax methionine aminopeptidase 1b, putative 0.0061 1 1
Trypanosoma brucei methionine aminopeptidase, putative 0.0061 1 1
Schistosoma mansoni methionyl aminopeptidase 2 (M24 family) 0.0057 0.8606 1
Plasmodium vivax methionine aminopeptidase 2, putative 0.0057 0.8606 0.8012
Toxoplasma gondii methionine aminopeptidase 2, putative 0.0057 0.8606 0.8012
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0061 1 1
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0041 0.2986 0.2986
Toxoplasma gondii methionine aminopeptidase 0.0061 1 1
Echinococcus multilocularis methionyl aminopeptidase 2 0.0057 0.8606 0.8606

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.19 uM Inhibitory activity against human methionine aminopeptidase-2 ChEMBL. 15012983
IC50 (binding) = 0.19 uM Inhibitory activity against human methionine aminopeptidase-2 ChEMBL. 15012983
IC50 (binding) = 12 uM Inhibitory activity against human methionine aminopeptidase-1 ChEMBL. 15012983
IC50 (binding) = 12 uM Inhibitory activity against human methionine aminopeptidase-1 ChEMBL. 15012983

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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