Detailed information for compound 884379

Basic information

Technical information
  • TDR Targets ID: 884379
  • Name: ethyl N-[[2-[1-[2-(1H-indol-3-yl)acetyl]piper idin-4-yl]1,3-thiazole-4-carbonyl]amino]carba mate
  • MW: 455.53 | Formula: C22H25N5O4S
  • H donors: 3 H acceptors: 4 LogP: 2.64 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)NNC(=O)c1csc(n1)C1CCN(CC1)C(=O)Cc1c[nH]c2c1cccc2
  • InChi: 1S/C22H25N5O4S/c1-2-31-22(30)26-25-20(29)18-13-32-21(24-18)14-7-9-27(10-8-14)19(28)11-15-12-23-17-6-4-3-5-16(15)17/h3-6,12-14,23H,2,7-11H2,1H3,(H,25,29)(H,26,30)
  • InChiKey: APTOARISECKYMG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • ethyl N-[[2-[1-[2-(1H-indol-3-yl)acetyl]-4-piperidyl]thiazole-4-carbonyl]amino]carbamate
  • N-[[[2-[1-[2-(1H-indol-3-yl)-1-oxoethyl]-4-piperidinyl]-4-thiazolyl]-oxomethyl]amino]carbamic acid ethyl ester
  • N-[[2-[1-[2-(1H-indol-3-yl)acetyl]-4-piperidyl]thiazole-4-carbonyl]amino]carbamic acid ethyl ester
  • ethyl N-[[2-[1-[2-(1H-indol-3-yl)ethanoyl]piperidin-4-yl]-1,3-thiazol-4-yl]carbonylamino]carbamate

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
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0399 0.1041 0.8032
Trichomonas vaginalis PIKK family atypical protein kinase 0.0208 0.0316 0.2439
Trichomonas vaginalis PIKK family atypical protein kinase 0.0208 0.0316 0.2439
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0649 0.1984 0.1984
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0467 0.1296 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0208 0.0316 0.2439
Loa Loa (eye worm) hypothetical protein 0.0136 0.0047 0.027
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0467 0.1296 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0467 0.1296 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0208 0.0316 0.1829
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0278 0.0581 0.0581
Trichomonas vaginalis PIKK family atypical protein kinase 0.0208 0.0316 0.2439
Trichomonas vaginalis PIKK family atypical protein kinase 0.0208 0.0316 0.2439
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0649 0.1984 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0208 0.0316 0.2439
Trichomonas vaginalis PIKK family atypical protein kinase 0.0208 0.0316 0.2439
Trichomonas vaginalis PIKK family atypical protein kinase 0.0208 0.0316 0.2439
Trichomonas vaginalis PIKK family atypical protein kinase 0.0208 0.0316 0.2439
Trichomonas vaginalis PIKK family atypical protein kinase 0.0208 0.0316 0.2439
Trichomonas vaginalis PIKK family atypical protein kinase 0.0208 0.0316 0.2439
Trichomonas vaginalis conserved hypothetical protein 0.0136 0.0047 0.036
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0278 0.0581 0.0581
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0174 0.019 0.0958
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0208 0.0316 0.0997
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0363 0.0905 0.6982
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0136 0.0047 0.1478
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0174 0.019 0.0599
Trichomonas vaginalis PIKK family atypical protein kinase 0.0208 0.0316 0.2439
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0208 0.0316 0.0316
Trichomonas vaginalis PIKK family atypical protein kinase 0.0208 0.0316 0.2439
Trichomonas vaginalis PIKK family atypical protein kinase 0.0208 0.0316 0.2439
Loa Loa (eye worm) phosphatidylinositol 3 0.0208 0.0316 0.1829
Trichomonas vaginalis PIKK family atypical protein kinase 0.0208 0.0316 0.2439
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0467 0.1296 0.4087
Trypanosoma cruzi target of rapamycin kinase 3 0.0208 0.0316 0.0997
Trichomonas vaginalis PIKK family atypical protein kinase 0.0208 0.0316 0.2439
Trichomonas vaginalis PIKK family atypical protein kinase 0.0136 0.0047 0.036
Trichomonas vaginalis PIKK family atypical protein kinase 0.0208 0.0316 0.2439
Trichomonas vaginalis PIKK family atypical protein kinase 0.0208 0.0316 0.2439
Trichomonas vaginalis PIKK family atypical protein kinase 0.0208 0.0316 0.2439
Loa Loa (eye worm) phosphatidylinositol 3 0.0581 0.1729 1
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0208 0.0316 0.2439
Toxoplasma gondii target of rapamycin (TOR), putative 0.0208 0.0316 1
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0208 0.0316 0.2439
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0467 0.1296 0.4087
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0363 0.0905 0.6982
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0208 0.0316 0.0316
Trypanosoma cruzi hypothetical protein, conserved 0.0963 0.3172 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0208 0.0316 0.0997
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0208 0.0316 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0208 0.0316 0.2439
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.2768 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0208 0.0316 0.2439
Leishmania major hypothetical protein, conserved 0.1015 0.3371 1
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0182 0.0219 0.1686
Entamoeba histolytica hypothetical protein 0.0399 0.1041 0.8032
Trichomonas vaginalis PIKK family atypical protein kinase 0.0208 0.0316 0.2439
Trichomonas vaginalis PIKK family atypical protein kinase 0.0208 0.0316 0.2439
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0208 0.0316 0.0997
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0208 0.0316 0.2439
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0208 0.0316 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0467 0.1296 1
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0208 0.0316 0.1594
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0174 0.019 0.6008
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0649 0.1984 0.1984
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0208 0.0316 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0208 0.0316 0.2439
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.021 0.0326 0.2515
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0208 0.0316 1
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0208 0.0316 0.1594
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0174 0.019 0.1465
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0278 0.0581 0.4483
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0174 0.019 0.1465
Loa Loa (eye worm) hypothetical protein 0.0189 0.0246 0.1423
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0208 0.0316 0.0316
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0414 0.1097 0.846
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0174 0.019 0.1465
Trichomonas vaginalis PIKK family atypical protein kinase 0.0208 0.0316 0.2439
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0174 0.019 0.1465
Trichomonas vaginalis PIKK family atypical protein kinase 0.0208 0.0316 0.2439
Trichomonas vaginalis PIKK family atypical protein kinase 0.0208 0.0316 0.2439
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0174 0.019 0.1465
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0174 0.019 0.1465
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0208 0.0316 0.0997
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0208 0.0316 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0208 0.0316 0.2439
Trichomonas vaginalis PIKK family atypical protein kinase 0.0208 0.0316 0.2439
Loa Loa (eye worm) hypothetical protein 0.0278 0.0581 0.3362
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0296 0.065 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0467 0.1296 1
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0208 0.0316 0.0316
Trichomonas vaginalis PIKK family atypical protein kinase 0.0208 0.0316 0.2439
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0136 0.0047 0.1478

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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