Detailed information for compound 665958

Basic information

Technical information
  • TDR Targets ID: 665958
  • Name: ethyl 4-[(3-methylphenyl)carbamothioyl]pipera zine-1-carboxylate
  • MW: 307.411 | Formula: C15H21N3O2S
  • H donors: 0 H acceptors: 1 LogP: 2.55 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)N1CCN(CC1)C(=Nc1cccc(c1)C)S
  • InChi: 1S/C15H21N3O2S/c1-3-20-15(19)18-9-7-17(8-10-18)14(21)16-13-6-4-5-12(2)11-13/h4-6,11H,3,7-10H2,1-2H3,(H,16,21)
  • InChiKey: DQFGACFTRMZLCC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[[(3-methylphenyl)amino]-thioxomethyl]-1-piperazinecarboxylic acid ethyl ester
  • 4-[(3-methylphenyl)thiocarbamoyl]piperazine-1-carboxylic acid ethyl ester
  • SMR000197519
  • ethyl 4-{[(3-methylphenyl)amino]carbonothioyl}-1-piperazinecarboxylate
  • STK092923
  • ZINC00472702
  • Oprea1_075584
  • MLS000577409

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 0.0041 0.1351 0.1914
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0573 0.5
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0573 0.5
Brugia malayi serine/threonine-protein kinase plk-2 0.0093 0.486 0.6753
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.006 0.2625 0.2529
Loa Loa (eye worm) TAR-binding protein 0.0126 0.7059 1
Schistosoma mansoni tar DNA-binding protein 0.0126 0.7059 0.7059
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0128 0.0128
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0093 0.486 0.4793
Schistosoma mansoni jumonji domain containing protein 0.0076 0.3711 0.3711
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.2659 0.3766
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1687 0.1687
Schistosoma mansoni hypothetical protein 0.017 1 1
Echinococcus granulosus tar DNA binding protein 0.0126 0.7059 0.7021
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0573 0.045
Schistosoma mansoni hypothetical protein 0.017 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.1687 0.2067
Plasmodium falciparum phd finger protein, putative 0.0029 0.0573 0.5
Schistosoma mansoni kinase 0.0047 0.1788 0.1788
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0093 0.486 0.4793
Schistosoma mansoni tar DNA-binding protein 0.0126 0.7059 0.7059
Brugia malayi Bromodomain containing protein 0.0075 0.3653 0.497
Brugia malayi PHD-finger family protein 0.0029 0.0573 0.0421
Loa Loa (eye worm) hypothetical protein 0.0043 0.1479 0.2096
Echinococcus multilocularis geminin 0.017 1 1
Brugia malayi jmjC domain containing protein 0.0037 0.1113 0.1219
Loa Loa (eye worm) hypothetical protein 0.0029 0.0573 0.0811
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.486 1
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.486 1
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.134 0.1227
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0093 0.486 0.6885
Giardia lamblia Kinase, PLK 0.0093 0.486 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.1687 0.1579
Brugia malayi Bromodomain containing protein 0.0032 0.0732 0.0656
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0573 0.0573
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.1687 0.1579
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0096 0.503 0.4965
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.486 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.486 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.0093 0.486 0.5
Brugia malayi RNA binding protein 0.0126 0.7059 1
Schistosoma mansoni bromodomain containing protein 0.0063 0.2866 0.2866
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0126 0.7059 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.1192 0.1688
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1687 0.1687
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.1113 0.1113
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.1963 0.2475
Onchocerca volvulus Serine\/threonine kinase homolog 0.0093 0.486 1
Brugia malayi RNA recognition motif domain containing protein 0.0126 0.7059 1
Echinococcus granulosus lysine specific demethylase 5A 0.0037 0.1113 0.0998
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.486 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.006 0.2625 0.2529
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0096 0.503 0.4965
Loa Loa (eye worm) jmjC domain-containing protein 0.0037 0.1113 0.1577
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.1113 0.1113
Loa Loa (eye worm) hypothetical protein 0.005 0.1963 0.2781
Schistosoma mansoni tar DNA-binding protein 0.0126 0.7059 0.7059
Schistosoma mansoni tar DNA-binding protein 0.0126 0.7059 0.7059
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0903 0.091
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0985 0.0868
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.1687 0.1579
Schistosoma mansoni hypothetical protein 0.0034 0.0903 0.0903
Brugia malayi jmjC domain containing protein 0.0096 0.503 0.7003
Schistosoma mansoni tar DNA-binding protein 0.0126 0.7059 0.7059
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.486 1
Echinococcus granulosus peregrin 0.0032 0.0732 0.0611
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.1028 0.0911
Schistosoma mansoni serine/threonine protein kinase 0.0093 0.486 0.486
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.1028 0.0911
Loa Loa (eye worm) hypothetical protein 0.0034 0.0903 0.128
Trypanosoma brucei polo-like protein kinase 0.0093 0.486 0.5
Echinococcus multilocularis peregrin 0.0032 0.0732 0.0611
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0093 0.486 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1687 0.1687
Loa Loa (eye worm) hypothetical protein 0.005 0.1972 0.2794
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.486 1
Echinococcus multilocularis tar DNA binding protein 0.0126 0.7059 0.7021
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.486 1
Brugia malayi Bromodomain containing protein 0.0038 0.1187 0.1329
Schistosoma mansoni hypothetical protein 0.0029 0.0573 0.0573
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0573 0.0811
Brugia malayi TAR-binding protein 0.0126 0.7059 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0573 0.5
Loa Loa (eye worm) hypothetical protein 0.0071 0.3366 0.4768
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.1963 0.2781
Echinococcus granulosus jumonji domain containing protein 0.0041 0.134 0.1227
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.1687 0.1579
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.1963 0.2475
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.486 1
Loa Loa (eye worm) RNA binding protein 0.0126 0.7059 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0573 0.045
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.1687 0.239

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 18.526 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

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.

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