Detailed information for compound 536601

Basic information

Technical information
  • TDR Targets ID: 536601
  • Name: prepro-thyrotropin-releasing hormone (178-199 )
  • MW: 2618.87 | Formula: C116H176N28O39S
  • H donors: 34 H acceptors: 39 LogP: -9.13 Rotable bonds: 109
    Rule of 5 violations (Lipinski): 4
  • SMILES: NCCCC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)CCC(=O)O)CCSC)CC(C)C)C(C)C)CCC(=O)O)CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H](Cc1ccccc1)N)CC(=O)O)CCC(=O)O)CC(C)C)CCC(=O)N)CCCNC(=N)N)CO)CCC(=O)O)CCC(=O)O
  • InChi: 1S/C116H176N28O39S/c1-10-61(8)95(142-96(163)65(118)51-62-21-12-11-13-22-62)112(179)139-80(53-93(161)162)114(181)144-47-20-27-82(144)109(176)133-74(34-41-91(157)158)104(171)136-77(49-58(2)3)105(172)131-71(29-36-84(119)146)101(168)128-68(26-18-45-122-116(120)121)100(167)140-81(57-145)108(175)137-79(52-63-54-123-66-24-15-14-23-64(63)66)107(174)132-73(33-40-90(155)156)103(170)130-72(32-39-89(153)154)102(169)127-67(25-16-17-44-117)99(166)129-70(31-38-88(151)152)98(165)124-55-85(147)126-69(30-37-87(149)150)97(164)125-56-86(148)141-94(60(6)7)111(178)138-78(50-59(4)5)106(173)134-75(43-48-184-9)113(180)143-46-19-28-83(143)110(177)135-76(115(182)183)35-42-92(159)160/h11-15,21-24,54,58-61,65,67-83,94-95,123,145H,10,16-20,25-53,55-57,117-118H2,1-9H3,(H2,119,146)(H,124,165)(H,125,164)(H,126,147)(H,127,169)(H,128,168)(H,129,166)(H,130,170)(H,131,172)(H,132,174)(H,133,176)(H,134,173)(H,135,177)(H,136,171)(H,137,175)(H,138,178)(H,139,179)(H,140,167)(H,141,148)(H,142,163)(H,149,150)(H,151,152)(H,153,154)(H,155,156)(H,157,158)(H,159,160)(H,161,162)(H,182,183)(H4,120,121,122)/t61-,65-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,94-,95-/m0/s1
  • InChiKey: ICAYDYVQHKWGMZ-VIAQXQIWSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 122018-92-2
  • L-Glutamic acid, L-phenylalanyl-L-isoleucyl-L-alpha-aspartyl-L-prolyl-L-alpha-glutamyl-L-leucyl-L-glutaminyl-L-arginyl-L-seryl-L-typtophyl-L-alpha-glutamyl-L-alpha-glutamyl-L-lysyl-L-alpha-glutamylglycyl-L-alpha-glutamylglycyl-L-valyl-L-leucyl-L-methionyl-L-prolyl-
  • Prepro-trh (178-199)
  • Preprothyrotropin-releasing hormone (178-199)

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
Trypanosoma brucei antigen, putative 0.0019 0.0887 0.5
Entamoeba histolytica hypothetical protein 0.0035 0.4042 1
Schistosoma mansoni intermediate filament proteins 0.0026 0.2351 0.1607
Loa Loa (eye worm) intermediate filament protein 0.0026 0.2351 0.2506
Brugia malayi calpain 5 0.0019 0.0887 0.0945
Brugia malayi intermediate filament protein 0.0026 0.2351 0.2506
Trypanosoma brucei calpain-like protein, putative 0.0019 0.0887 0.5
Schistosoma mansoni hypothetical protein 0.0035 0.4042 0.3463
Echinococcus multilocularis calpain A 0.0066 1 1
Echinococcus multilocularis lamin dm0 0.0026 0.2351 0.1607
Leishmania major kinesin, putative 0.0019 0.0887 0.5
Schistosoma mansoni lamin 0.0026 0.2351 0.1607
Loa Loa (eye worm) hypothetical protein 0.0026 0.2258 0.2407
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0066 1 1
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0019 0.0887 0.5
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0062 0.9382 0.9322
Echinococcus multilocularis lamin 0.0026 0.2351 0.1607
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0019 0.0887 0.5
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0019 0.0887 0.5
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0019 0.0887 0.5
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0019 0.0887 0.5
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0019 0.0887 0.5
Loa Loa (eye worm) calpain 0.0019 0.0887 0.0945
Trypanosoma brucei calpain-like protein, putative 0.0019 0.0887 0.5
Echinococcus granulosus lamin dm0 0.0026 0.2351 0.1607
Loa Loa (eye worm) calpain family protein 1 0.0062 0.9382 1
Echinococcus granulosus lamin 0.0026 0.2351 0.1607
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0019 0.0887 0.5
Trypanosoma brucei calpain-like protein, putative 0.0019 0.0887 0.5
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0019 0.0887 0.5
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0019 0.0887 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.4042 0.3463
Echinococcus multilocularis musashi 0.0026 0.2351 0.1607
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.2351 0.2506
Onchocerca volvulus 0.0044 0.5783 1
Trypanosoma cruzi kinesin, putative 0.0019 0.0887 0.5
Brugia malayi hypothetical protein 0.0035 0.4042 0.4308
Schistosoma mansoni lamin 0.0026 0.2351 0.1607
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0066 1 1
Loa Loa (eye worm) hypothetical protein 0.0062 0.9382 1
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0066 1 1
Trypanosoma brucei calpain-like protein, putative 0.0019 0.0887 0.5
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0019 0.0887 0.5
Plasmodium vivax calpain, putative 0.0019 0.0887 0.5
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0019 0.0887 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.2351 0.2506
Echinococcus multilocularis calpain family protein 1, d 0.0044 0.5783 0.5373
Loa Loa (eye worm) calpain family protein 1 0.0044 0.5783 0.6164
Loa Loa (eye worm) calpain 5 0.0019 0.0887 0.0945
Entamoeba histolytica hypothetical protein 0.0035 0.4042 1
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0019 0.0887 0.5
Trypanosoma brucei kinesin, putative 0.0019 0.0887 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0019 0.0887 0.5
Loa Loa (eye worm) hypothetical protein 0.0062 0.9382 1
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0066 1 1
Brugia malayi calpain 7 0.0019 0.0887 0.0945
Loa Loa (eye worm) hypothetical protein 0.0044 0.5783 0.6164
Brugia malayi calpain family protein 1 0.0062 0.9382 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.2351 0.2506
Brugia malayi calpain family protein 1 0.0062 0.9382 1
Entamoeba histolytica hypothetical protein 0.0035 0.4042 1
Entamoeba histolytica hypothetical protein 0.0035 0.4042 1
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0019 0.0887 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.4042 0.3463
Echinococcus granulosus intermediate filament protein 0.0026 0.2351 0.1607
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.4042 0.3463
Loa Loa (eye worm) hypothetical protein 0.0044 0.5783 0.6164
Trypanosoma cruzi kinesin, putative 0.0019 0.0887 0.5
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.0019 0.0887 0.5

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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