Detailed information for compound 1720150

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 426.547 | Formula: C22H38N2O6
  • H donors: 4 H acceptors: 5 LogP: 0.46 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: CO[C@H]([C@@H]([C@H]([C@@H](/C=C/C(C)(C)C)O)O)O)C(=O)NCC1CCCN(C1)C(=O)C1CC1
  • InChi: 1S/C22H38N2O6/c1-22(2,3)10-9-16(25)17(26)18(27)19(30-4)20(28)23-12-14-6-5-11-24(13-14)21(29)15-7-8-15/h9-10,14-19,25-27H,5-8,11-13H2,1-4H3,(H,23,28)/b10-9+/t14?,16-,17+,18-,19-/m1/s1
  • InChiKey: JFNUXOSYQRHRBI-AXRDIIPRSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
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
Loa Loa (eye worm) methionine aminopeptidase type I 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
Plasmodium falciparum methionine aminopeptidase 1a, putative 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
Treponema pallidum methionine aminopeptidase (map) 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
Leishmania major methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 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
Leishmania infantum methionine aminopeptidase, putative,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_126721 All targets in OG5_126721
Plasmodium vivax methionine aminopeptidase 1a, putative 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
Toxoplasma gondii methionine aminopeptidase 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 metallo- peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
Chlamydia trachomatis 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
Neospora caninum methionine aminopeptidase, putative Get druggable targets OG5_126721 All targets in OG5_126721
Wolbachia endosymbiont of Brugia malayi methionine aminopeptidase 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 ulcerans 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
Plasmodium berghei methionine aminopeptidase 1a, 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
Plasmodium berghei methionine aminopeptidase 1b, putative Get druggable targets OG5_126721 All targets in OG5_126721
Cryptosporidium hominis methionine aminopeptidase 1 (MetAP 1) (MAP 1) (Peptidase M 1) 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
Babesia bovis methionine aminopeptidase, putative 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
Echinococcus granulosus methionyl aminopeptidase 1 M24 family 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
Schistosoma japonicum ko:K01265 methionyl aminopeptidase [EC3.4.11.18], putative 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_126721 All targets in OG5_126721
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 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
Mycobacterium ulcerans methionine aminopeptidase MapB Get druggable targets OG5_126721 All targets in OG5_126721
Trypanosoma brucei methionine aminopeptidase, type I, putative Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium yoelii methionine aminopeptidase, type I, 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 donovani metallo- peptidase, Clan MG, Family M24 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
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
Schistosoma japonicum ko:K01265 methionyl aminopeptidase [EC3.4.11.18], 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
Plasmodium vivax methionine aminopeptidase 1b, 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
Theileria parva methionine aminopeptidase, type I, 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
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP) Get druggable targets OG5_126721 All targets in OG5_126721
Candida albicans methionine aminopeptidase 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
Neospora caninum 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

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
Treponema pallidum methionine aminopeptidase (map) 0.0034 0.3174 0.5
Echinococcus granulosus methionyl aminopeptidase 1 M24 family 0.0054 0.9415 0.8853
Plasmodium falciparum DNA repair endonuclease, putative 0.0035 0.3379 0.0301
Brugia malayi Methionine aminopeptidase protein type I 0.0054 0.9415 1
Plasmodium falciparum ERCC1 nucleotide excision repair protein, putative 0.0056 1 1
Plasmodium vivax DNA repair endonuclease, putative 0.004 0.4902 0.2531
Schistosoma mansoni DNA repair endonuclease xp-f / mei-9 / rad1 0.004 0.4902 0.2531
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M) 0.0034 0.3174 0.5
Plasmodium falciparum methionine aminopeptidase 1b, putative 0.0054 0.9415 0.9143
Loa Loa (eye worm) helix-hairpin-helix domain-containing protein family protein 0.0056 1 1
Schistosoma mansoni excision repair cross-complementing 1 ercc1 0.0056 1 1
Trypanosoma brucei metallo- peptidase, Clan MG, Family M24 0.0054 0.9415 1
Trichomonas vaginalis excision repair cross-complementing 1 ercc1, putative 0.0056 1 1
Toxoplasma gondii methionine aminopeptidase 0.0054 0.9415 0.9143
Wolbachia endosymbiont of Brugia malayi methionine aminopeptidase 0.0034 0.3174 0.5
Echinococcus multilocularis DNA excision repair protein ERCC 1 0.0056 1 1
Mycobacterium ulcerans methionine aminopeptidase MapB 0.0034 0.3174 0.5
Trypanosoma brucei methionine aminopeptidase, putative 0.0054 0.9415 1
Echinococcus multilocularis dna repair endonuclease xpf 0.004 0.4902 0.2531
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0054 0.9415 0.9143
Toxoplasma gondii ERCC4 domain-containing protein 0.004 0.4902 0.2531
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP) 0.0034 0.3174 0.5
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0054 0.9415 1
Plasmodium vivax ERCC1 nucleotide excision repair protein, putative 0.0056 1 1
Mycobacterium tuberculosis Methionine aminopeptidase MapA (map) (peptidase M) (MetAP) 0.0034 0.3174 0.5
Trypanosoma brucei methionine aminopeptidase, type I, putative 0.0054 0.9415 1
Mycobacterium ulcerans methionine aminopeptidase 0.0034 0.3174 0.5
Mycobacterium tuberculosis Methionine aminopeptidase MapB (map) (peptidase M) 0.0034 0.3174 0.5
Plasmodium vivax methionine aminopeptidase 1b, putative 0.0054 0.9415 0.9143
Chlamydia trachomatis methionine aminopeptidase 0.0034 0.3174 0.5
Loa Loa (eye worm) methionine aminopeptidase type I 0.0054 0.9415 0.8853
Brugia malayi ERCC4 domain containing protein 0.004 0.4902 0.3588
Toxoplasma gondii DNA repair protein rad10 subfamily protein 0.0056 1 1
Leishmania major methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 0.0054 0.9415 0.5
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0054 0.9415 1
Entamoeba histolytica DNA excision repair protein, putative 0.0056 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 7.45 uM Inhibition of Mn(II) form of human methionine aminopeptidase1 expressed in Escherichia coli at 100 mM ChEMBL. 22913487

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.