Detailed information for compound 556991

Basic information

Technical information
  • TDR Targets ID: 556991
  • Name: (2S)-N-[(1S)-2-[(2S)-2-carbamoylpyrrolidin-1- yl]-2-oxo-1-(1H-pyrazol-5-ylmethyl)ethyl]-5-o xo-pyrrolidine-2-carboxamide
  • MW: 362.384 | Formula: C16H22N6O4
  • H donors: 4 H acceptors: 5 LogP: -1.7 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CC[C@H](N1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)Cc1[nH]ncc1
  • InChi: 1S/C16H22N6O4/c17-14(24)12-2-1-7-22(12)16(26)11(8-9-5-6-18-21-9)20-15(25)10-3-4-13(23)19-10/h5-6,10-12H,1-4,7-8H2,(H2,17,24)(H,18,21)(H,19,23)(H,20,25)/t10-,11-,12-/m0/s1
  • InChiKey: YMUAIJKCQCFCKS-SRVKXCTJSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (2S)-N-[(1S)-2-[(2S)-2-carbamoyl-1-pyrrolidinyl]-2-oxo-1-(1H-pyrazol-5-ylmethyl)ethyl]-5-oxo-2-pyrrolidinecarboxamide
  • (2S)-N-[(2S)-1-[(2S)-2-aminocarbonylpyrrolidin-1-yl]-1-oxo-3-(1H-pyrazol-5-yl)propan-2-yl]-5-oxo-pyrrolidine-2-carboxamide
  • (2S)-N-[(1S)-2-[(2S)-2-carbamoylpyrrolidino]-2-keto-1-(1H-pyrazol-5-ylmethyl)ethyl]-5-keto-pyrrolidine-2-carboxamide
  • (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(1H-pyrazol-5-yl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide
  • thyrotropin-releasing hormone, beta-(pyrazolyl-1)-Ala(2)-
  • (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(2H-pyrazol-3-yl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide
  • (2S)-N-[(1S)-2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-oxo-1-(2H-pyrazol-3-ylmethyl)ethyl]-5-oxo-pyrrolidine-2-carboxamide
  • (2S)-N-[(1S)-2-[(2S)-2-carbamoyl-1-pyrrolidinyl]-2-oxo-1-(2H-pyrazol-3-ylmethyl)ethyl]-5-oxo-2-pyrrolidinecarboxamide
  • (2S)-N-[(1S)-2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-keto-1-(2H-pyrazol-3-ylmethyl)ethyl]-5-keto-pyrrolidine-2-carboxamide
  • (2S)-N-[(2S)-1-[(2S)-2-aminocarbonylpyrrolidin-1-yl]-1-oxo-3-(2H-pyrazol-3-yl)propan-2-yl]-5-oxo-pyrrolidine-2-carboxamide
  • 28398-28-9
  • Bpa-TRH
  • L-Prolinamide, 5-oxo-L-prolyl-3-(1H-pyrazol-3-yl)-L-alanyl-
  • Pyrala
  • TRH, beta(pyrazolyl-1)-ala(2)-
  • Thyrotropin-releasing hormone, beta-(pyrazolyl-1)-alanine(2)-
  • beta-(Pyrazolyl-1)-2-ala-thyrotropin-releasing hormone

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
Brugia malayi Calcitonin receptor-like protein seb-1 0.01 0.0691 0.7618
Plasmodium vivax thioredoxin reductase, putative 0.0049 0 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.0908 0.2992
Loa Loa (eye worm) hypothetical protein 0.0088 0.0527 0.1736
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0111 0.0848 0.8342
Leishmania major trypanothione reductase 0.0049 0 0.5
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0124 0.1017 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0111 0.0848 0.8342
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0111 0.0848 0.8342
Mycobacterium tuberculosis Probable reductase 0.0111 0.0848 0.8342
Loa Loa (eye worm) hypothetical protein 0.0068 0.0263 0.0868
Loa Loa (eye worm) hypothetical protein 0.01 0.0691 0.228
Plasmodium falciparum thioredoxin reductase 0.0049 0 0.5
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0124 0.1017 1
Echinococcus multilocularis small conductance calcium activated potassium 0.0272 0.3033 0.3033
Schistosoma mansoni calcium-activated potassium channel 0.0176 0.1722 0.5267
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.01 0.0691 0.7618
Echinococcus granulosus small conductance calcium activated potassium 0.0272 0.3033 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0111 0.0848 0.8342
Schistosoma mansoni hypothetical protein 0.0272 0.3033 1
Trypanosoma brucei trypanothione reductase 0.0049 0 0.5
Schistosoma mansoni calcium-activated potassium channel 0.0272 0.3033 1
Brugia malayi MH2 domain containing protein 0.0116 0.0908 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0124 0.1017 1
Trypanosoma cruzi trypanothione reductase, putative 0.0049 0 0.5
Mycobacterium tuberculosis Probable dehydrogenase 0.0111 0.0848 0.8342
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.0908 0.2992
Plasmodium vivax glutathione reductase, putative 0.0049 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0272 0.3033 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.01 0.0691 0.228
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.0263 0.2899
Toxoplasma gondii thioredoxin reductase 0.0049 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0093 0.0594 0.196
Plasmodium falciparum glutathione reductase 0.0049 0 0.5
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0124 0.1017 1
Loa Loa (eye worm) hypothetical protein 0.0083 0.0466 0.1535

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.

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