Detailed information for compound 1744421

Basic information

Technical information
  • TDR Targets ID: 1744421
  • Name: 1-[6-[(2S)-2-carbamoylpyrrolidin-1-yl]-6-oxo- 5-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]he xyl]-4H-pyridine-3-carboxamide
  • MW: 460.527 | Formula: C22H32N6O5
  • H donors: 4 H acceptors: 5 LogP: -1.2 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CC[C@H](N1)C(=O)NC(C(=O)N1CCC[C@H]1C(=O)N)CCCCN1C=CCC(=C1)C(=O)N
  • InChi: 1S/C22H32N6O5/c23-19(30)14-5-3-11-27(13-14)10-2-1-6-16(26-21(32)15-8-9-18(29)25-15)22(33)28-12-4-7-17(28)20(24)31/h3,11,13,15-17H,1-2,4-10,12H2,(H2,23,30)(H2,24,31)(H,25,29)(H,26,32)/t15-,16?,17-/m0/s1
  • InChiKey: OMTFQDQRIUUFDA-QRFGZVGRSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[6-[(2S)-2-carbamoyl-1-pyrrolidinyl]-6-oxo-5-[[oxo-[(2S)-5-oxo-2-pyrrolidinyl]methyl]amino]hexyl]-4H-pyridine-3-carboxamide
  • 1-[6-[(2S)-2-carbamoylpyrrolidin-1-yl]-6-keto-5-(pyroglutamoylamino)hexyl]-4H-pyridine-3-carboxamide
  • 1-[6-[(2S)-2-aminocarbonylpyrrolidin-1-yl]-6-oxo-5-[[(2S)-5-oxopyrrolidin-2-yl]carbonylamino]hexyl]-4H-pyridine-3-carboxamide

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
Loa Loa (eye worm) hypothetical protein 0.0029 0.0021 0.001
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0024 0.0012 0.0012
Loa Loa (eye worm) hypothetical protein 0.0122 0.0197 0.0185
Echinococcus multilocularis indoleamine 2,3 dioxygenase 2 0.5305 1 1
Trichomonas vaginalis set domain proteins, putative 0.0194 0.0332 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0021 0.001
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0024 0.0012 0.0012
Toxoplasma gondii aldehyde dehydrogenase 0.0147 0.0244 1
Brugia malayi beta-lactamase 0.0029 0.0021 0.001
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0075 0.0107 0.0107
Toxoplasma gondii LsmAD domain-containing protein 0.0041 0.0042 0.1311
Mycobacterium leprae Probable lipase LipE 0.0029 0.0021 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0147 0.0244 1
Onchocerca volvulus 0.0029 0.0021 0.0297
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0075 0.0107 0.0107
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0029 0.0021 0.001
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0147 0.0244 0.7426
Schistosoma mansoni hypothetical protein 0.5305 1 1
Brugia malayi Muscleblind-like protein 0.0122 0.0197 0.0185
Mycobacterium leprae conserved hypothetical protein 0.0029 0.0021 0.5
Schistosoma mansoni survival motor neuron protein 0.0039 0.004 0.004
Onchocerca volvulus 0.0194 0.0332 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0024 0.0012 0.0012
Brugia malayi hypothetical protein 0.0026 0.0015 0.0003
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0041 0.0043 0.0031
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0024 0.0012 0.0012
Schistosoma mansoni hypothetical protein 0.0028 0.0018 0.0018
Trypanosoma cruzi PAB1-binding protein , putative 0.0041 0.0042 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0188 0.0322 1
Echinococcus granulosus neuropeptide s receptor 0.0378 0.0681 0.0681
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0024 0.0012 0.0012
Loa Loa (eye worm) hypothetical protein 0.0041 0.0042 0.0031
Echinococcus granulosus muscleblind protein 0.0122 0.0197 0.0197
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0029 0.0021 0.001
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0039 0.004 0.0028
Brugia malayi hypothetical protein 0.0194 0.0332 0.032
Loa Loa (eye worm) beta-lactamase 0.0029 0.0021 0.001
Echinococcus multilocularis muscleblind protein 1 0.0122 0.0197 0.0197
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0075 0.0107 0.0096
Leishmania major hypothetical protein, conserved 0.0041 0.0042 0.094
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0075 0.0107 0.0107
Onchocerca volvulus 0.0029 0.0021 0.0297
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0024 0.001 0.001
Echinococcus granulosus histone lysine methyltransferase setb 0.0024 0.0012 0.0012
Mycobacterium ulcerans aldehyde dehydrogenase 0.0147 0.0244 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0075 0.0107 0.0107
Schistosoma mansoni aldehyde dehydrogenase 0.0147 0.0244 0.0244
Brugia malayi beta-lactamase family protein 0.0029 0.0021 0.001
Brugia malayi latrophilin 2 splice variant baaae 0.0028 0.0018 0.0007
Echinococcus multilocularis beta LACTamase domain containing family member 0.0029 0.0021 0.0021
Plasmodium vivax ataxin-2 like protein, putative 0.0041 0.0042 1
Loa Loa (eye worm) hypothetical protein 0.0122 0.0197 0.0185
Echinococcus multilocularis neuropeptide receptor A26 0.0378 0.0681 0.0681
Loa Loa (eye worm) hypothetical protein 0.0194 0.0332 0.032
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0029 0.0021 0.0021
Plasmodium falciparum ataxin-2 like protein, putative 0.0041 0.0042 0.5
Onchocerca volvulus 0.0029 0.0021 0.0297
Schistosoma mansoni hypothetical protein 0.5305 1 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0029 0.0021 0.0021
Echinococcus granulosus beta LACTamase domain containing family member 0.0029 0.0021 0.0021
Toxoplasma gondii ABC1 family protein 0.0029 0.0021 0.041
Loa Loa (eye worm) indoleamine 2,3-dioxygenase 0.5305 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0075 0.0107 0.0096
Brugia malayi Calcitonin receptor-like protein seb-1 0.0041 0.0043 0.0031
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0041 0.0043 0.0031
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0147 0.0244 1
Echinococcus granulosus indoleamine 23 dioxygenase 2 0.5305 1 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0021 0.001
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.1327 0.2476 0.2476
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0075 0.0107 0.0107
Loa Loa (eye worm) hypothetical protein 0.0029 0.0021 0.001
Echinococcus multilocularis neuropeptide s receptor 0.0378 0.0681 0.0681
Loa Loa (eye worm) hypothetical protein 0.0029 0.0021 0.001
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0147 0.0244 0.0244
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0024 0.0012 0.0012
Echinococcus multilocularis muscleblind protein 0.0122 0.0197 0.0197
Brugia malayi hypothetical protein 0.0041 0.0042 0.0031
Plasmodium falciparum ataxin-2 like protein, putative 0.0041 0.0042 0.5
Loa Loa (eye worm) hypothetical protein 0.0029 0.0021 0.001
Echinococcus multilocularis survival motor neuron protein 1 0.0194 0.0332 0.0332
Brugia malayi Pre-SET motif family protein 0.017 0.0288 0.0276
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.017 0.0288 0.0276
Trypanosoma brucei PAB1-binding protein , putative 0.0041 0.0042 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0041 0.0042 1
Schistosoma mansoni hypothetical protein 0.0039 0.004 0.004
Echinococcus granulosus survival motor neuron protein 1 0.0194 0.0332 0.0332
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0147 0.0244 0.0244
Brugia malayi beta-lactamase family protein 0.0029 0.0021 0.001
Loa Loa (eye worm) hypothetical protein 0.0041 0.0043 0.0031
Schistosoma mansoni aldehyde dehydrogenase 0.0147 0.0244 0.0244
Echinococcus granulosus neuropeptide receptor A26 0.0378 0.0681 0.0681
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0075 0.0107 0.0107
Loa Loa (eye worm) hypothetical protein 0.0028 0.0018 0.0007
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0021 0.3123
Onchocerca volvulus 0.0039 0.004 0.0888
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0075 0.0107 0.0107
Mycobacterium ulcerans aldehyde dehydrogenase 0.0147 0.0244 1

Activities

Activity type Activity value Assay description Source Reference
Sleeping time (functional) ~ 47 min Compound was intravenously injected into Swiss Webstar mice tail vein, the sleeping time was recorded as the time elapsed from the loss of righting reflex ChEMBL. 12127530
Sleeping time (functional) = 48.8 min Sleeping time of mice was determined after intravenous administration of compound at 15 umol/kg of Body Weight ChEMBL. 15537357

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.