Detailed information for compound 1010202

Basic information

Technical information
  • TDR Targets ID: 1010202
  • Name: (3S,4S)-4-amino-1-(5-hydroxypentyl-propan-2-y lcarbamoyl)pyrrolidine-3-carboxylic acid
  • MW: 301.382 | Formula: C14H27N3O4
  • H donors: 3 H acceptors: 4 LogP: -2.38 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCCCCN(C(=O)N1C[C@@H]([C@@H](C1)N)C(=O)O)C(C)C
  • InChi: 1S/C14H27N3O4/c1-10(2)17(6-4-3-5-7-18)14(21)16-8-11(13(19)20)12(15)9-16/h10-12,18H,3-9,15H2,1-2H3,(H,19,20)/t11-,12+/m0/s1
  • InChiKey: SDBSHOSAZVYBRD-NWDGAFQWSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (3S,4S)-4-amino-1-(5-hydroxypentyl-isopropyl-carbamoyl)pyrrolidine-3-carboxylic acid
  • (3S,4S)-4-amino-1-[(5-hydroxypentyl-isopropylamino)-oxomethyl]-3-pyrrolidinecarboxylic acid
  • (3S,4S)-4-amino-1-(5-hydroxypentyl-propan-2-yl-carbamoyl)pyrrolidine-3-carboxylic acid
  • 3-Pyrrolidinecarboxylic acid, 4-amino-1-[[(5-hydroxypentyl)(1-methylethyl)amino]carbonyl]-, (3S,4S)-
  • AIDS-280104
  • AIDS280104

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Influenza A virus Neuraminidase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative Get druggable targets OG5_127739 All targets in OG5_127739
Leishmania infantum ubiquitin-conjugating enzyme e2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Theileria parva ubiquitin-protein ligase, putative Get druggable targets OG5_127739 All targets in OG5_127739
Trypanosoma brucei gambiense ubiquitin-conjugating enzyme e2, putative,ubiquitin carrier protein, putative,ubiquitin-protein ligase, putative Get druggable targets OG5_127739 All targets in OG5_127739
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein Get druggable targets OG5_127739 All targets in OG5_127739
Brugia malayi ubiquitin conjugating enzyme protein 13 Get druggable targets OG5_127739 All targets in OG5_127739
Trypanosoma brucei ubiquitin-protein ligase, putative Get druggable targets OG5_127739 All targets in OG5_127739
Cryptosporidium hominis ubiquitin-conjugating enzyme Get druggable targets OG5_127739 All targets in OG5_127739
Plasmodium knowlesi ubiquitin-conjugating enzyme E2 N, putative Get druggable targets OG5_127739 All targets in OG5_127739
Leishmania donovani ubiquitin-conjugating enzyme E2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Schistosoma japonicum ko:K10580 ubiquitin-conjugating enzyme E2 N, putative Get druggable targets OG5_127739 All targets in OG5_127739
Leishmania braziliensis ubiquitin-conjugating enzyme e2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Schistosoma mansoni ubiquitin conjugating enzyme 13 Get druggable targets OG5_127739 All targets in OG5_127739
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Leishmania mexicana ubiquitin-conjugating enzyme e2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Candida albicans post-replication repair Get druggable targets OG5_127739 All targets in OG5_127739
Neospora caninum Ubiquitin carrier protein (EC 6.3.2.-), related Get druggable targets OG5_127739 All targets in OG5_127739
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N Get druggable targets OG5_127739 All targets in OG5_127739
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 Get druggable targets OG5_127739 All targets in OG5_127739
Plasmodium berghei ubiquitin-conjugating enzyme E2 N, putative Get druggable targets OG5_127739 All targets in OG5_127739
Entamoeba histolytica ubiquitin-conjugating enzyme family protein Get druggable targets OG5_127739 All targets in OG5_127739
Echinococcus granulosus ubiquitin conjugating enzyme E2 N Get druggable targets OG5_127739 All targets in OG5_127739
Leishmania major ubiquitin-conjugating enzyme e2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Brugia malayi Ubiquitin conjugating enzyme protein 13 Get druggable targets OG5_127739 All targets in OG5_127739
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative Get druggable targets OG5_127739 All targets in OG5_127739
Trypanosoma congolense ubiquitin-protein ligase, putative Get druggable targets OG5_127739 All targets in OG5_127739
Candida albicans ubiquitin-conjugating enzyme Get druggable targets OG5_127739 All targets in OG5_127739
Candida albicans ubiquitin conjugating enzyme Get druggable targets OG5_127739 All targets in OG5_127739
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 Get druggable targets OG5_127739 All targets in OG5_127739
Babesia bovis ubiquitin-conjugating enzyme E2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Cryptosporidium parvum ubiquitin-conjugating enzyme Get druggable targets OG5_127739 All targets in OG5_127739
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
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0151 0.4605 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0022 0.021 0.0532
Brugia malayi Amidohydrolase family protein 0.0019 0.0112 0.0261
Echinococcus multilocularis lamin 0.0032 0.0539 0.1013
Echinococcus multilocularis musashi 0.0032 0.0539 0.1013
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0046 0.1026 0.1927
Schistosoma mansoni hypothetical protein 0.0172 0.5323 1
Echinococcus multilocularis imidazolonepropionase 0.0019 0.0112 0.021
Loa Loa (eye worm) TAR-binding protein 0.0142 0.429 1
Schistosoma mansoni tar DNA-binding protein 0.0142 0.429 0.806
Brugia malayi TAR-binding protein 0.0142 0.429 1
Echinococcus multilocularis dihydropyrimidinase protein 4 0.0019 0.0112 0.021
Mycobacterium ulcerans carbon monoxyde dehydrogenase small chain CoxS 0.0039 0.0785 0.1499
Giardia lamblia Fructose-bisphosphate aldolase 0.0309 1 1
Schistosoma mansoni hypothetical protein 0.0019 0.0112 0.021
Echinococcus granulosus lamin dm0 0.0032 0.0539 0.1013
Trypanosoma brucei guanine deaminase, putative 0.0132 0.3951 1
Mycobacterium ulcerans carbon monoxyde dehydrogenase medium chain CoxM 0.0069 0.1809 0.3777
Schistosoma mansoni tar DNA-binding protein 0.0142 0.429 0.806
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0022 0.021 0.0395
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0046 0.1026 0.2597
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0309 1 1
Echinococcus granulosus dihydropyrimidinase 2 0.0019 0.0112 0.021
Schistosoma mansoni intermediate filament proteins 0.0032 0.0539 0.1013
Schistosoma mansoni dihydropyrimidinase (M38 family) 0.0019 0.0112 0.021
Loa Loa (eye worm) hypothetical protein 0.0031 0.0519 0.121
Trypanosoma cruzi guanine deaminase, putative 0.0132 0.3951 1
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.021 0.0099
Schistosoma mansoni dihydropyrimidinase related protein-1 (M38 family) 0.0019 0.0112 0.021
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0022 0.021 0.0099
Leishmania major guanine deaminase, putative 0.0132 0.3951 1
Leishmania major dihydroorotase, putative 0.0019 0.0112 0.0284
Trichomonas vaginalis protein ssnA, putative 0.0132 0.3951 0.3882
Treponema pallidum hypothetical protein 0.0027 0.0387 0.0181
Mycobacterium ulcerans aerobic-type carbon monoxide dehydrogenase subunit CoxL_2 0.0096 0.2744 0.5857
Brugia malayi intermediate filament protein 0.0032 0.0539 0.1256
Echinococcus multilocularis dihydropyrimidinase 2 0.0019 0.0112 0.021
Mycobacterium ulcerans hydroxydechloroatrazine ethylaminohydrolase 0.0132 0.3951 0.8544
Schistosoma mansoni dihydropyrimidinase (M38 family) 0.0019 0.0112 0.021
Echinococcus granulosus intermediate filament protein 0.0032 0.0539 0.1013
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0046 0.1026 0.1927
Echinococcus multilocularis lamin dm0 0.0032 0.0539 0.1013
Loa Loa (eye worm) RNA binding protein 0.0142 0.429 1
Trypanosoma brucei dihydroorotase, putative 0.0019 0.0112 0.0284
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0022 0.021 0.0219
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0022 0.021 1
Schistosoma mansoni tar DNA-binding protein 0.0142 0.429 0.806
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.021 0.2049
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0046 0.1026 0.0924
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0046 0.1026 0.2597
Mycobacterium ulcerans aerobic-type carbon monoxide dehydrogenase subunit CoxM_2 0.0069 0.1809 0.3777
Mycobacterium tuberculosis Conserved protein 0.0019 0.0112 0.0243
Trypanosoma cruzi dihydroorotase, putative 0.0019 0.0112 0.0284
Trichomonas vaginalis aldehyde oxidase, putative 0.0204 0.6433 0.6392
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0309 1 1
Mycobacterium ulcerans hypothetical protein 0.0033 0.0587 0.1058
Loa Loa (eye worm) intermediate filament protein 0.0032 0.0539 0.1256
Treponema pallidum fructose-bisphosphate aldolase 0.0309 1 1
Trichomonas vaginalis guanine deaminase, putative 0.0132 0.3951 0.3882
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (small chain) 0.0039 0.0785 0.1705
Echinococcus multilocularis tar DNA binding protein 0.0142 0.429 0.806
Treponema pallidum hypothetical protein 0.0033 0.0587 0.0385
Trypanosoma cruzi dihydroorotase, putative 0.0019 0.0112 0.0284
Brugia malayi RNA binding protein 0.0142 0.429 1
Schistosoma mansoni dihydropyrimidinase related protein-2 (M38 family) 0.0019 0.0112 0.021
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0022 0.021 0.049
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0309 1 1
Entamoeba histolytica guanine deaminase, putative 0.0132 0.3951 0.3882
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0046 0.1026 0.2391
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0046 0.1026 1
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (medium chain) 0.0069 0.1809 0.3929
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0046 0.1026 0.2391
Trypanosoma cruzi guanine deaminase, putative 0.0132 0.3951 1
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0046 0.1026 0.1927
Schistosoma mansoni ap endonuclease 0.0022 0.021 0.0395
Trichomonas vaginalis xanthine dehydrogenase, putative 0.0204 0.6433 0.6392
Trypanosoma brucei guanine deaminase, putative 0.0132 0.3951 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0142 0.429 1
Brugia malayi RNA recognition motif domain containing protein 0.0142 0.429 1
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.021 0.0099
Treponema pallidum quinoline 2-oxidoreductase 0.0032 0.0561 0.0358
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0309 1 1
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0046 0.1026 0.2391
Schistosoma mansoni tar DNA-binding protein 0.0142 0.429 0.806
Schistosoma mansoni lamin 0.0032 0.0539 0.1013
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0022 0.021 0.0532
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0035 0.0081
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0151 0.4605 1
Plasmodium vivax dihydroorotase, putative 0.0019 0.0112 0.1092
Brugia malayi exodeoxyribonuclease III family protein 0.0022 0.021 0.049
Mycobacterium tuberculosis Urease alpha subunit UreC (urea amidohydrolase) 0.0019 0.0112 0.0243
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0022 0.021 0.0532
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0309 1 1
Loa Loa (eye worm) amidohydrolase 0.0019 0.0112 0.0261
Echinococcus granulosus dihydropyrimidinase protein 4 0.0019 0.0112 0.021
Schistosoma mansoni ap endonuclease 0.0022 0.021 0.0395
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0046 0.1026 0.2597
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0309 1 1
Echinococcus multilocularis dihydropyrimidinase 0.0019 0.0112 0.021
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0309 1 1
Schistosoma mansoni hypothetical protein 0.0172 0.5323 1
Schistosoma mansoni lamin 0.0032 0.0539 0.1013
Trichomonas vaginalis protein ssnA, putative 0.0132 0.3951 0.3882
Echinococcus granulosus lamin 0.0032 0.0539 0.1013
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0046 0.1026 0.0924
Schistosoma mansoni aspartate carbamoyltransferase 0.0019 0.0112 0.021
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0035 0.0081
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.0046 0.1026 0.0924
Echinococcus granulosus dihydropyrimidinase 0.0019 0.0112 0.021
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0151 0.4605 1
Toxoplasma gondii exonuclease III APE 0.0022 0.021 0.2049
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0309 1 1
Trypanosoma cruzi dihydroorotase, putative 0.0019 0.0112 0.0284
Mycobacterium ulcerans carbon monoxyde dehydrogenase large chain CoxL 0.0061 0.1522 0.3138
Brugia malayi Intermediate filament tail domain containing protein 0.0032 0.0539 0.1256
Trichomonas vaginalis xanthine dehydrogenase, putative 0.0204 0.6433 0.6392
Trypanosoma cruzi imidazolonepropionase, putative 0.0019 0.0112 0.0284
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (large chain) 0.0096 0.2744 0.5958
Leishmania major N-acetylglucosamine-6-phosphate deacetylase-like protein 0.0019 0.0112 0.0284
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0046 0.1026 0.2597
Mycobacterium ulcerans carbon monoxide dehydrogenase 0.0135 0.4076 0.8823
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0032 0.0539 0.1256
Echinococcus granulosus imidazolonepropionase 0.0019 0.0112 0.021
Echinococcus granulosus tar DNA binding protein 0.0142 0.429 0.806
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0022 0.021 0.0532
Echinococcus multilocularis geminin 0.0172 0.5323 1
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0046 0.1026 1
Onchocerca volvulus 0.0032 0.0539 0.5
Schistosoma mansoni hypothetical protein 0.0019 0.0112 0.021
Loa Loa (eye worm) hypothetical protein 0.0032 0.0539 0.1256
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0022 0.021 0.0457
Trypanosoma cruzi imidazolonepropionase, putative 0.0019 0.0112 0.0284
Onchocerca volvulus 0.0032 0.0539 0.5
Schistosoma mansoni tar DNA-binding protein 0.0142 0.429 0.806
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0022 0.021 0.0395
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.0046 0.1026 0.2391
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.021 0.2049
Mycobacterium ulcerans carbon monoxyde dehydrogenase large chain CoxL 0.0096 0.2744 0.5857
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0046 0.1026 1
Trypanosoma cruzi imidazolonepropienase, putative 0.0019 0.0112 0.0284
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0309 1 1
Mycobacterium ulcerans carbon monoxyde dehydrogenase small chain CoxS 0.0039 0.0785 0.1499
Echinococcus granulosus geminin 0.0172 0.5323 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = -0.301 Inhibition of influenza virus neuraminidase ChEMBL. 18255197
IC50 (binding) = 5.698 Inhibition of Influenza virus neuraminidase A ChEMBL. No reference
IC50 (binding) = 2 uM Inhibition of Influenza virus neuraminidase A ChEMBL. No reference

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

No literature references available for this target.

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