Detailed information for compound 1438100

Basic information

Technical information
  • TDR Targets ID: 1438100
  • Name: ethyl 4-(phenylcarbamoyl)piperazine-1-carboxy late
  • MW: 277.319 | Formula: C14H19N3O3
  • H donors: 1 H acceptors: 2 LogP: 1.15 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)N1CCN(CC1)C(=O)Nc1ccccc1
  • InChi: 1S/C14H19N3O3/c1-2-20-14(19)17-10-8-16(9-11-17)13(18)15-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H,15,18)
  • InChiKey: GWWZRDIMISIHCG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-[oxo-(phenylamino)methyl]-1-piperazinecarboxylic acid ethyl ester
  • 4-(phenylcarbamoyl)piperazine-1-carboxylic acid ethyl ester
  • Oprea1_319290
  • Oprea1_335423
  • ZINC00082171
  • MLS000709621
  • SMR000288088
  • 4-Phenylcarbamoyl-piperazine-1-carboxylic acid ethyl ester
  • BAS 01923272
  • ST5257997

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 0.0436 0.0847 0.1155
Echinococcus granulosus serine protein kinase ATM 0.0395 0.0622 0.0622
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0984 0.3819 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0917 0.3456 0.7577
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0843 0.3053 0.7922
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.1816 0.8336 0.8336
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0451 0.0928 0.0854
Trichomonas vaginalis PIKK family atypical protein kinase 0.0842 0.3052 0.6691
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0917 0.3456 0.7194
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0451 0.0928 0.2034
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0652 0.2021 0.541
Trichomonas vaginalis PIKK family atypical protein kinase 0.0842 0.3052 0.6691
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0395 0.0622 0.0622
Loa Loa (eye worm) hypothetical protein 0.0395 0.0622 0.0849
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.055 0.1463 0.2134
Toxoplasma gondii target of rapamycin (TOR), putative 0.0824 0.295 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0749 0.2547 0.5585
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0917 0.3456 0.3456
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0395 0.0622 0.0622
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0395 0.0622 0.0622
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0917 0.3456 0.7194
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.112 0.4561 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0543 0.1429 0.3133
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0395 0.0622 0.0546
Trypanosoma cruzi target of rapamycin kinase 3 0.0843 0.3053 0.2997
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0917 0.3456 0.3456
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0511 0.1251 0.3033
Trichomonas vaginalis PIKK family atypical protein kinase 0.0543 0.1429 0.3133
Trichomonas vaginalis PIKK family atypical protein kinase 0.0395 0.0622 0.1365
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0936 0.3558 0.7454
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0395 0.0622 0.1327
Trichomonas vaginalis PIKK family atypical protein kinase 0.0562 0.1531 0.3357
Trichomonas vaginalis PIKK family atypical protein kinase 0.0675 0.2143 0.4699
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0451 0.0928 0.2156
Trichomonas vaginalis PIKK family atypical protein kinase 0.0824 0.295 0.6467
Trichomonas vaginalis PIKK family atypical protein kinase 0.0824 0.295 0.6467
Trichomonas vaginalis PIKK family atypical protein kinase 0.0749 0.2545 0.5581
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.112 0.4561 0.4561
Trichomonas vaginalis PIKK family atypical protein kinase 0.0824 0.295 0.6467
Trichomonas vaginalis PIKK family atypical protein kinase 0.0604 0.1756 0.3849
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.2122 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0749 0.2545 0.5581
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0675 0.2143 0.5453
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0917 0.3456 0.7831
Trichomonas vaginalis conserved hypothetical protein 0.0436 0.0847 0.1857
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.2122 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0675 0.2143 0.4699
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.112 0.4561 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0824 0.295 0.6467
Trichomonas vaginalis PIKK family atypical protein kinase 0.0749 0.2547 0.5585
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0917 0.3456 0.7831
Trichomonas vaginalis PIKK family atypical protein kinase 0.0824 0.295 0.6467
Trichomonas vaginalis PIKK family atypical protein kinase 0.0749 0.2547 0.5585
Loa Loa (eye worm) hypothetical protein 0.0734 0.2465 0.3362
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0451 0.0928 0.2034
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0734 0.2465 0.2465
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.2122 1 1
Loa Loa (eye worm) hypothetical protein 0.0309 0.0156 0.0212
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0837 0.3023 0.6629
Loa Loa (eye worm) hypothetical protein 0.0309 0.0156 0.0212
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.112 0.4561 0.4516
Loa Loa (eye worm) phosphatidylinositol 3 0.0984 0.3819 0.5208
Trichomonas vaginalis PIKK family atypical protein kinase 0.0749 0.2547 0.5585
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.2122 1 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.1816 0.8336 0.8336
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0395 0.0622 0.0622
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0696 0.2255 0.2255
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0436 0.0847 0.0965
Trichomonas vaginalis PIKK family atypical protein kinase 0.0824 0.295 0.6467
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0395 0.0622 0.0622
Trichomonas vaginalis PIKK family atypical protein kinase 0.0675 0.2143 0.4699
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.112 0.4561 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0768 0.2649 0.5808
Trichomonas vaginalis PIKK family atypical protein kinase 0.0917 0.3456 0.7577
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0451 0.0928 0.0776
Loa Loa (eye worm) hypothetical protein 0.0386 0.0575 0.0784
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0837 0.3023 0.6629
Echinococcus multilocularis serine protein kinase ATM 0.0395 0.0622 0.0622
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0917 0.3456 0.3456
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0734 0.2465 0.2465
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0451 0.0928 0.0928
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0917 0.3456 0.9014
Trichomonas vaginalis PIKK family atypical protein kinase 0.0749 0.2545 0.5581
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0917 0.3456 0.3402
Loa Loa (eye worm) phosphatidylinositol 3 0.0917 0.3456 0.4712
Trichomonas vaginalis PIKK family atypical protein kinase 0.0842 0.3052 0.6691
Giardia lamblia GTOR 0.0917 0.3456 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0917 0.3456 0.7577
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0917 0.3456 0.3402
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0964 0.3714 0.7849
Trichomonas vaginalis PIKK family atypical protein kinase 0.0842 0.3052 0.6691
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0451 0.0928 0.0928
Trichomonas vaginalis PIKK family atypical protein kinase 0.0543 0.1429 0.3133
Trichomonas vaginalis PIKK family atypical protein kinase 0.0768 0.2649 0.5808
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0984 0.3819 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0451 0.0928 0.2034
Trichomonas vaginalis PIKK family atypical protein kinase 0.0637 0.1935 0.4243
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0843 0.3053 0.543
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0917 0.3456 0.3456
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0395 0.0622 0.0546
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.2122 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0704 0.2299 0.504
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0917 0.3456 0.9014
Trichomonas vaginalis PIKK family atypical protein kinase 0.0675 0.2143 0.4699
Trichomonas vaginalis PIKK family atypical protein kinase 0.0395 0.0622 0.1365
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.112 0.4561 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0295 0.0081 0.011
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.112 0.4561 0.4516
Trichomonas vaginalis PIKK family atypical protein kinase 0.0842 0.3052 0.6691
Entamoeba histolytica hypothetical protein 0.0936 0.3558 0.7454
Schistosoma mansoni fkbp-rapamycin associated protein 0.0395 0.0622 0.0622
Trichomonas vaginalis PIKK family atypical protein kinase 0.0984 0.3819 0.8374
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0704 0.2299 0.4256
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0734 0.2465 0.2465
Loa Loa (eye worm) phosphatidylinositol 3 0.1631 0.7334 1
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.1816 0.8336 0.8336
Trichomonas vaginalis PIKK family atypical protein kinase 0.0824 0.295 0.6467
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0451 0.0928 0.0776

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 14.7157 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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.