Detailed information for compound 584615

Basic information

Technical information
  • TDR Targets ID: 584615
  • Name: (2S)-2-[[(2S)-1-[(2S)-2-amino-3-phenyl-propan oyl]pyrrolidine-2-carbonyl]amino]propanoic ac id
  • MW: 333.382 | Formula: C17H23N3O4
  • H donors: 3 H acceptors: 4 LogP: -1.61 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N)C
  • InChi: 1S/C17H23N3O4/c1-11(17(23)24)19-15(21)14-8-5-9-20(14)16(22)13(18)10-12-6-3-2-4-7-12/h2-4,6-7,11,13-14H,5,8-10,18H2,1H3,(H,19,21)(H,23,24)/t11-,13-,14-/m0/s1
  • InChiKey: JLLJTMHNXQTMCK-UBHSHLNASA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (2S)-2-[[[(2S)-1-[(2S)-2-amino-1-oxo-3-phenylpropyl]-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid
  • (2S)-2-[[(2S)-1-[(2S)-2-azanyl-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]propanoic acid
  • (2S)-2-[[(2S)-1-[(2S)-2-amino-3-phenyl-propanoyl]prolyl]amino]propionic acid
  • (2S)-2-[[(2S)-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]propanoic acid
  • phenylalanyl-prolyl-alanine
  • (2S)-2-[[(2S)-1-[(2S)-2-amino-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]amino]propionic acid
  • (2S)-2-[[(2S)-1-[(2S)-2-amino-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]propanoic acid
  • 81391-38-0
  • L-Alanine, N-(1-L-phenylalanyl-L-prolyl)-
  • N-(1-L-Phenylalanyl-L-prolyl)-L-alanine
  • Phe-pro-ala
  • (2S)-2-[[(2S)-1-[(2S)-2-azaniumyl-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]propanoate
  • (2S)-2-[[(2S)-1-[(2S)-2-azaniumyl-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]amino]propanoate
  • (2S)-2-[[[(2S)-1-[(2S)-2-ammonio-1-oxo-3-phenylpropyl]-2-pyrrolidinyl]-oxomethyl]amino]propanoate
  • (2S)-2-[[(2S)-1-[(2S)-2-ammonio-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]amino]propionate
  • (2S)-2-[[(2S)-1-[(2S)-2-azaniumyl-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]propanoate
  • ZINC04899787

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Echinococcus multilocularis sterol regulatory element binding protein 0.0042 0.0148 0.0148
Schistosoma mansoni hypothetical protein 0.0067 0.0476 0.0566
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0097 0.0868 1
Echinococcus granulosus microtubule associated protein 2 0.0678 0.8408 1
Schistosoma mansoni hypothetical protein 0.0166 0.1768 0.2102
Treponema pallidum glutamate/aspartate transporter 0.0281 0.3258 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.007 0.0089
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.009 0.0779 0.0993
Echinococcus multilocularis expressed conserved protein 0.0091 0.0792 0.0792
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0009 0.0009
Schistosoma mansoni hypothetical protein 0.004 0.0128 0.0153
Echinococcus granulosus GPCR family 2 0.0031 0.0009 0.001
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0037 0.0084 0.0126
Chlamydia trachomatis glutamate symporter 0.0634 0.7844 1
Plasmodium vivax hypothetical protein, conserved 0.0036 0.007 0.8365
Brugia malayi exodeoxyribonuclease III family protein 0.0037 0.0084 0.0107
Echinococcus multilocularis protein dispatched 1 0.0048 0.0224 0.0224
Loa Loa (eye worm) hypothetical protein 0.0097 0.0868 0.1107
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0009 0.0011
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0037 0.0084 0.0018
Echinococcus granulosus Excitatory amino acid transporter 0.0634 0.7844 0.9329
Loa Loa (eye worm) hypothetical protein 0.0098 0.0878 0.1119
Echinococcus granulosus excitatory amino acid transporter 3 0.0634 0.7844 0.9329
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0037 0.0084 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0119 0.1154 1
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0009 0.0011
Echinococcus multilocularis microtubule associated protein 2 0.0678 0.8408 0.8408
Schistosoma mansoni hypothetical protein 0.004 0.0128 0.0153
Schistosoma mansoni hypothetical protein 0.0166 0.1768 0.2102
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0281 0.3258 0.3874
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0281 0.3258 0.3874
Schistosoma mansoni hypothetical protein 0.0031 0.0009 0.001
Echinococcus granulosus snurportin 1 0.0324 0.381 0.4531
Loa Loa (eye worm) beta-lactamase 0.0036 0.007 0.0089
Echinococcus granulosus Excitatory amino acid transporter 0.0634 0.7844 0.9329
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.0476 0.0606
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0634 0.7844 0.7844
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.0779 0.0926
Echinococcus granulosus excitatory amino acid transporter 2 0.0634 0.7844 0.9329
Schistosoma mansoni hypothetical protein 0.0324 0.381 0.4531
Mycobacterium ulcerans aldehyde dehydrogenase 0.0119 0.1154 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0139 0.141 0.141
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0119 0.1154 0.1394
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0037 0.0084 1
Echinococcus granulosus neutral amino acid transporter A 0.0634 0.7844 0.9329
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0037 0.0084 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.009 0.0779 0.0993
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.007 0.0083
Schistosoma mansoni hypothetical protein 0.0031 0.0009 0.001
Brugia malayi beta-lactamase 0.0036 0.007 0.0089
Loa Loa (eye worm) excitatory amino acid transporter 0.0634 0.7844 1
Schistosoma mansoni patched 1 0.0042 0.0148 0.0176
Echinococcus granulosus neutral amino acid transporter 0.0634 0.7844 0.9329
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.0634 0.7844 1
Echinococcus multilocularis neutral amino acid transporter A 0.0634 0.7844 0.7844
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0037 0.0084 1
Brugia malayi Niemann-Pick C1 protein precursor 0.0097 0.0868 0.1107
Echinococcus granulosus Niemann Pick C1 protein 0.0097 0.0868 0.1033
Schistosoma mansoni microtubule-associated protein tau 0.0678 0.8408 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.0779 0.0926
Echinococcus granulosus Niemann Pick C1 protein 0.0139 0.141 0.1677
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0037 0.0084 1
Loa Loa (eye worm) hypothetical protein 0.0157 0.1646 0.2098
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0119 0.1154 1
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0281 0.3258 0.3258
Echinococcus multilocularis excitatory amino acid transporter 2 0.0634 0.7844 0.7844
Echinococcus multilocularis muscleblind protein 1 0.0157 0.1646 0.1646
Schistosoma mansoni hypothetical protein 0.004 0.0128 0.0153
Brugia malayi beta-lactamase family protein 0.0036 0.007 0.0089
Schistosoma mansoni hypothetical protein 0.0031 0.0009 0.001
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.0779 0.0926
Brugia malayi Muscleblind-like protein 0.0157 0.1646 0.2098
Echinococcus multilocularis snurportin 1 0.0324 0.381 0.381
Loa Loa (eye worm) hypothetical protein 0.0067 0.0476 0.0606
Brugia malayi Excitatory amino acid transporter 0.0634 0.7844 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0037 0.0084 0.01
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0119 0.1154 0.1372
Schistosoma mansoni ap endonuclease 0.0037 0.0084 0.01
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0098 0.0878 0.1119
Toxoplasma gondii aldehyde dehydrogenase 0.0119 0.1154 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0009 0.0009
Schistosoma mansoni aldehyde dehydrogenase 0.0119 0.1154 0.1372
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.0634 0.7844 0.9329
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.007 0.0089
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0098 0.0878 0.1119
Echinococcus multilocularis Excitatory amino acid transporter 0.0634 0.7844 0.7844
Mycobacterium leprae Probable lipase LipE 0.0036 0.007 0.5
Treponema pallidum glutamate transporter 0.0281 0.3258 1
Loa Loa (eye worm) hypothetical protein 0.0157 0.1646 0.2098
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.007 0.8365
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.007 0.0083
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.0779 0.0779
Echinococcus multilocularis neutral amino acid transporter A 0.0634 0.7844 0.7844
Echinococcus multilocularis neutral amino acid transporter A 0.0634 0.7844 0.7844
Echinococcus multilocularis geminin 0.0166 0.1768 0.1768
Mycobacterium leprae conserved hypothetical protein 0.0036 0.007 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.0779 0.0926
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0228 0.2569 0.3215
Brugia malayi Calcitonin receptor-like protein seb-1 0.0098 0.0878 0.1119
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0037 0.0084 0.0107
Toxoplasma gondii ABC1 family protein 0.0036 0.007 0.0607
Schistosoma mansoni hypothetical protein 0.0031 0.0009 0.001
Loa Loa (eye worm) hypothetical protein 0.0036 0.007 0.0089
Echinococcus granulosus sodium:dicarboxylate symporter 0.0634 0.7844 0.9329
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0009 0.001
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0119 0.1154 0.1154
Onchocerca volvulus Excitatory amino acid transporter homolog 0.0634 0.7844 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.007 0.0089
Loa Loa (eye worm) hypothetical protein 0.0051 0.027 0.0344
Echinococcus granulosus expressed conserved protein 0.0091 0.0792 0.0942
Echinococcus granulosus neutral amino acid transporter A 0.0634 0.7844 0.9329
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0037 0.0084 0.0126
Echinococcus granulosus excitatory amino acid transporter 2 0.0634 0.7844 0.9329
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0148 1
Schistosoma mansoni ap endonuclease 0.0037 0.0084 0.01
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0009 0.001
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.007 0.0089
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0037 0.0084 0.0084
Echinococcus multilocularis GPCR, family 2 0.0031 0.0009 0.0009
Trichomonas vaginalis ap endonuclease, putative 0.0037 0.0084 0.176
Toxoplasma gondii exonuclease III APE 0.0037 0.0084 0.0726
Brugia malayi CHE-14 protein 0.0042 0.0148 0.0188
Echinococcus multilocularis muscleblind protein 0.0157 0.1646 0.1646
Loa Loa (eye worm) hypothetical protein 0.0036 0.007 0.0089
Schistosoma mansoni hypothetical protein 0.004 0.0128 0.0153
Trichomonas vaginalis ap endonuclease, putative 0.0037 0.0084 0.176
Brugia malayi beta-lactamase family protein 0.0036 0.007 0.0089
Loa Loa (eye worm) hypothetical protein 0.0031 0.0009 0.0011
Brugia malayi RNA, U transporter 1 0.0086 0.0726 0.0925
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0324 0.381 0.4857
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0042 0.0148 0.0188
Schistosoma mansoni aldehyde dehydrogenase 0.0119 0.1154 0.1372
Loa Loa (eye worm) hypothetical protein 0.0036 0.007 0.0089
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.007 0.007
Echinococcus granulosus muscleblind protein 0.0157 0.1646 0.1958
Loa Loa (eye worm) hypothetical protein 0.0036 0.007 0.0089
Mycobacterium ulcerans aldehyde dehydrogenase 0.0119 0.1154 1
Echinococcus multilocularis excitatory amino acid transporter 3 0.0634 0.7844 0.7844
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.0779 0.0779
Echinococcus granulosus geminin 0.0166 0.1768 0.2102
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0099 0.0888 0.1056
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0281 0.3258 0.3258
Echinococcus multilocularis Excitatory amino acid transporter 0.0634 0.7844 0.7844
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.0779 0.0926
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0037 0.0084 1
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0634 0.7844 0.7844
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.007 0.0083
Echinococcus granulosus Protein patched homolog 1 0.0042 0.0148 0.0176
Echinococcus granulosus sterol regulatory element binding protein 0.0042 0.0148 0.0176
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.0634 0.7844 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0009 0.0011
Echinococcus multilocularis Niemann Pick C1 protein 0.0097 0.0868 0.0868
Echinococcus multilocularis protein patched 0.0042 0.0148 0.0148
Loa Loa (eye worm) hypothetical protein 0.0042 0.0148 0.0188
Echinococcus multilocularis excitatory amino acid transporter 2 0.0634 0.7844 0.7844

Activities

No activities found for this compound.

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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