Detailed information for compound 113096

Basic information

Technical information
  • TDR Targets ID: 113096
  • Name: (2-phenyl-5-propyl-1,3-thiazol-4-yl) N-phenyl carbamate
  • MW: 338.423 | Formula: C19H18N2O2S
  • H donors: 1 H acceptors: 2 LogP: 5.28 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCc1sc(nc1OC(=O)Nc1ccccc1)c1ccccc1
  • InChi: 1S/C19H18N2O2S/c1-2-9-16-17(21-18(24-16)14-10-5-3-6-11-14)23-19(22)20-15-12-7-4-8-13-15/h3-8,10-13H,2,9H2,1H3,(H,20,22)
  • InChiKey: QWWDTGSULXUJKA-UHFFFAOYSA-N  

Network

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Synonyms

  • (2-phenyl-5-propyl-thiazol-4-yl) N-phenylcarbamate
  • N-phenylcarbamic acid (2-phenyl-5-propyl-4-thiazolyl) ester
  • N-phenylcarbamic acid (2-phenyl-5-propyl-thiazol-4-yl) ester

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Arachidonate 5-lipoxygenase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma japonicum ko:K00461 arachidonate 5-lipoxygenase [EC1.13.11.34], putative Get druggable targets OG5_127482 All targets in OG5_127482
Echinococcus granulosus arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma japonicum IPR001024,Lipoxygenase, LH2;IPR013819,Lipoxygenase, C-terminal,domain-containing Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Echinococcus multilocularis arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482

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
Echinococcus granulosus neurogenic locus protein delta 0.0232 0.2252 0.2252
Onchocerca volvulus Peroxidasin homolog 0.0948 1 1
Brugia malayi Importin beta-1 subunit 0.0024 0.0002 0.0002
Brugia malayi GCC2 and GCC3 family protein 0.0232 0.2252 0.2252
Echinococcus multilocularis protein jagged 1 0.0232 0.2252 0.2252
Loa Loa (eye worm) animal heme peroxidase 0.0948 1 1
Brugia malayi Calcium binding EGF domain containing protein 0.0232 0.2252 0.2252
Loa Loa (eye worm) hypothetical protein 0.0232 0.2252 0.2252
Loa Loa (eye worm) hypothetical protein 0.0948 1 1
Echinococcus granulosus snurportin 1 0.0256 0.2514 0.2514
Echinococcus multilocularis neurogenic locus notch protein 4 0.0232 0.2252 0.2252
Onchocerca volvulus Neurogenic locus notch homolog 0.0232 0.2252 0.2252
Onchocerca volvulus 0.0232 0.2252 0.2252
Schistosoma mansoni hypothetical protein 0.0232 0.2252 0.2252
Trypanosoma brucei importin beta-1 subunit, putative 0.0024 0.0002 0.5
Echinococcus granulosus protein jagged 2 0.0232 0.2252 0.2252
Loa Loa (eye worm) hypothetical protein 0.0948 1 1
Loa Loa (eye worm) hypothetical protein 0.0948 1 1
Echinococcus multilocularis neurogenic locus protein delta 0.0232 0.2252 0.2252
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0038 0.0154 0.0154
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0038 0.0154 0.0154
Brugia malayi Calcium binding EGF domain containing protein 0.0232 0.2252 0.2252
Loa Loa (eye worm) hypothetical protein 0.0232 0.2252 0.2252
Loa Loa (eye worm) hypothetical protein 0.0024 0.0002 0.0002
Brugia malayi EGF-like domain containing protein 0.0232 0.2252 0.2252
Schistosoma mansoni hypothetical protein 0.0232 0.2252 0.2252
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0232 0.2252 0.2252
Loa Loa (eye worm) hypothetical protein 0.0232 0.2252 0.2252
Loa Loa (eye worm) hypothetical protein 0.0948 1 1
Loa Loa (eye worm) hypothetical protein 0.0232 0.2252 0.2252
Brugia malayi Animal haem peroxidase family protein 0.0948 1 1
Echinococcus multilocularis peroxidasin 0.0948 1 1
Onchocerca volvulus Slit protein homolog 0.0232 0.2252 0.2252
Onchocerca volvulus 0.0948 1 1
Onchocerca volvulus 0.0948 1 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0142 0.1284 0.1284
Schistosoma mansoni importin beta-1 0.0024 0.0002 0.0002
Brugia malayi Animal haem peroxidase family protein 0.0948 1 1
Loa Loa (eye worm) hypothetical protein 0.0232 0.2252 0.2252
Onchocerca volvulus Dual oxidase homolog 0.0948 1 1
Schistosoma mansoni notch 0.0232 0.2252 0.2252
Echinococcus granulosus neurogenic locus notch protein 0.0232 0.2252 0.2252
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0038 0.0154 0.0154
Schistosoma mansoni peroxidasin 0.0948 1 1
Onchocerca volvulus 0.0232 0.2252 0.2252
Echinococcus multilocularis protein jagged 2 0.0232 0.2252 0.2252
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0038 0.0154 0.0154
Schistosoma mansoni hypothetical protein 0.0232 0.2252 0.2252
Loa Loa (eye worm) hypothetical protein 0.0232 0.2252 0.2252
Brugia malayi EGF-like domain containing protein 0.0232 0.2252 0.2252
Loa Loa (eye worm) hypothetical protein 0.0948 1 1
Loa Loa (eye worm) hypothetical protein 0.0948 1 1
Loa Loa (eye worm) hypothetical protein 0.0232 0.2252 0.2252
Schistosoma mansoni hypothetical protein 0.0232 0.2252 0.2252
Schistosoma mansoni laminin gamma-3 chain 0.0232 0.2252 0.2252
Onchocerca volvulus Putative cubilin 0.0232 0.2252 0.2252
Echinococcus granulosus neurogenic locus notch protein 4 0.0232 0.2252 0.2252
Loa Loa (eye worm) Notch2 0.0232 0.2252 0.2252
Onchocerca volvulus Neurogenic locus notch protein homolog 0.0232 0.2252 0.2252
Echinococcus granulosus protein jagged 2 0.0232 0.2252 0.2252
Loa Loa (eye worm) hypothetical protein 0.0948 1 1
Schistosoma mansoni peroxidasin 0.0948 1 1
Echinococcus granulosus notch 0.0232 0.2252 0.2252
Echinococcus granulosus peroxidasin 0.0948 1 1
Brugia malayi Animal haem peroxidase family protein 0.0948 1 1
Onchocerca volvulus Peroxidase homolog 0.0948 1 1
Schistosoma mansoni hypothetical protein 0.0232 0.2252 0.2252
Loa Loa (eye worm) hypothetical protein 0.0232 0.2252 0.2252
Schistosoma mansoni slit 0.0232 0.2252 0.2252
Loa Loa (eye worm) hypothetical protein 0.0232 0.2252 0.2252
Schistosoma mansoni hypothetical protein 0.0256 0.2514 0.2514
Schistosoma mansoni notch 0.0232 0.2252 0.2252
Loa Loa (eye worm) notch protein 0.0232 0.2252 0.2252
Loa Loa (eye worm) hypothetical protein 0.0948 1 1
Echinococcus multilocularis notch 0.0232 0.2252 0.2252
Loa Loa (eye worm) hypothetical protein 0.0232 0.2252 0.2252
Brugia malayi notch-like transmembrane receptor 0.0232 0.2252 0.2252
Schistosoma mansoni hypothetical protein 0.0232 0.2252 0.2252
Echinococcus multilocularis protein jagged 1 0.0232 0.2252 0.2252
Loa Loa (eye worm) blistered cuticle protein 3 0.0948 1 1
Brugia malayi Blistered cuticle protein 3 0.0948 1 1
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0232 0.2252 0.2252
Schistosoma mansoni lipoxygenase 0.0142 0.1284 0.1284
Plasmodium falciparum importin beta, putative 0.0024 0.0002 1
Loa Loa (eye worm) animal heme peroxidase 0.0948 1 1
Plasmodium vivax importin-beta 2, putative 0.0024 0.0002 1
Onchocerca volvulus 0.0232 0.2252 0.2252
Echinococcus multilocularis importin subunit beta 1 0.0024 0.0002 0.0002
Onchocerca volvulus Chorion peroxidase homolog 0.0948 1 1
Echinococcus multilocularis neural cadherin 0.0232 0.2252 0.2252
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0038 0.0154 0.0154
Brugia malayi RNA, U transporter 1 0.0068 0.0481 0.0481
Echinococcus granulosus protein jagged 1 0.0232 0.2252 0.2252
Onchocerca volvulus 0.0232 0.2252 0.2252
Loa Loa (eye worm) animal heme peroxidase 0.0948 1 1
Echinococcus granulosus protein jagged 1 0.0232 0.2252 0.2252
Echinococcus multilocularis slit 2 protein 0.0232 0.2252 0.2252
Onchocerca volvulus 0.0948 1 1
Schistosoma mansoni notch 0.0232 0.2252 0.2252
Brugia malayi Animal haem peroxidase family protein 0.0948 1 1
Loa Loa (eye worm) hypothetical protein 0.0232 0.2252 0.2252
Loa Loa (eye worm) hypothetical protein 0.0948 1 1
Loa Loa (eye worm) hypothetical protein 0.0948 1 1
Loa Loa (eye worm) hypothetical protein 0.0948 1 1
Loa Loa (eye worm) hypothetical protein 0.0232 0.2252 0.2252
Brugia malayi Animal haem peroxidase family protein 0.0948 1 1
Schistosoma mansoni hypothetical protein 0.0232 0.2252 0.2252
Loa Loa (eye worm) animal heme peroxidase 0.0948 1 1
Brugia malayi EGF-like domain containing protein 0.0232 0.2252 0.2252
Brugia malayi EGF-like domain containing protein 0.0232 0.2252 0.2252
Brugia malayi Cadherin domain containing protein 0.0232 0.2252 0.2252
Toxoplasma gondii EGF family domain-containing protein 0.0232 0.2252 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0038 0.0154 0.0154
Schistosoma mansoni notch 0.0232 0.2252 0.2252
Schistosoma mansoni notch 0.0232 0.2252 0.2252
Loa Loa (eye worm) hypothetical protein 0.0232 0.2252 0.2252
Echinococcus granulosus fibropellin Ia 0.0232 0.2252 0.2252
Brugia malayi Delta serrate ligand family protein 0.0232 0.2252 0.2252
Brugia malayi EGF-like domain containing protein 0.0232 0.2252 0.2252
Echinococcus granulosus importin subunit beta 1 0.0024 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0232 0.2252 0.2252
Loa Loa (eye worm) hypothetical protein 0.0232 0.2252 0.2252
Echinococcus multilocularis neurogenic locus protein delta 0.0232 0.2252 0.2252
Schistosoma mansoni cell polarity protein 0.0232 0.2252 0.2252
Loa Loa (eye worm) hypothetical protein 0.0232 0.2252 0.2252
Echinococcus multilocularis neurogenic locus notch protein 0.0232 0.2252 0.2252
Loa Loa (eye worm) hypothetical protein 0.0232 0.2252 0.2252
Brugia malayi EGF-like domain containing protein 0.0232 0.2252 0.2252
Loa Loa (eye worm) hypothetical protein 0.0232 0.2252 0.2252
Brugia malayi Calcium binding EGF domain containing protein 0.0232 0.2252 0.2252
Loa Loa (eye worm) hypothetical protein 0.0232 0.2252 0.2252
Onchocerca volvulus 0.0232 0.2252 0.2252
Loa Loa (eye worm) hypothetical protein 0.0948 1 1
Loa Loa (eye worm) hypothetical protein 0.0232 0.2252 0.2252
Echinococcus multilocularis snurportin 1 0.0256 0.2514 0.2514
Echinococcus granulosus delta-like protein 1 0.0232 0.2252 0.2252
Echinococcus multilocularis fibropellin Ia 0.0232 0.2252 0.2252
Loa Loa (eye worm) hypothetical protein 0.0948 1 1
Brugia malayi Cadherin domain containing protein 0.0232 0.2252 0.2252
Brugia malayi Peroxidasin 0.0948 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0038 0.0154 0.0154
Giardia lamblia High cysteine protein 0.0232 0.2252 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0038 0.0154 0.0154
Echinococcus granulosus neural cadherin 0.0232 0.2252 0.2252
Loa Loa (eye worm) hypothetical protein 0.0232 0.2252 0.2252
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0038 0.0154 0.0154
Loa Loa (eye worm) hypothetical protein 0.0232 0.2252 0.2252
Trypanosoma brucei importin beta-1 subunit, putative 0.0024 0.0002 0.5
Onchocerca volvulus Peroxidase homolog 0.0948 1 1
Brugia malayi EGF-like domain containing protein 0.0232 0.2252 0.2252
Schistosoma mansoni lipoxygenase 0.01 0.082 0.082
Onchocerca volvulus Peroxidasin homolog 0.0948 1 1
Brugia malayi Muscle positioning protein 4 0.0232 0.2252 0.2252
Echinococcus granulosus slit 2 protein 0.0232 0.2252 0.2252
Loa Loa (eye worm) hypothetical protein 0.0948 1 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0142 0.1284 0.1284
Echinococcus multilocularis neurogenic locus notch protein 0.0232 0.2252 0.2252
Echinococcus granulosus neurogenic locus notch protein 0.0232 0.2252 0.2252
Echinococcus multilocularis fat cadherin tumor suppressor 0.0232 0.2252 0.2252
Schistosoma mansoni notch 0.0232 0.2252 0.2252
Schistosoma mansoni septate junction protein 0.0232 0.2252 0.2252
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0256 0.2514 0.2514

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.46 uM In vitro inhibition of 5-lipoxygenase (5-lo) from the 20000 g supernatant of RBI-1 cells ChEMBL. 2066989
IC50 (binding) = 0.46 uM In vitro inhibition of 5-lipoxygenase (5-lo) from the 20000 g supernatant of RBI-1 cells ChEMBL. 2066989
IC50 (binding) = 1 uM Inhibition of 5-lipoxygenase (5-lo) in intact rat polymorphonuclear leukocyte RPMNL ChEMBL. 2066989
IC50 (binding) = 1 uM Inhibition of 5-lipoxygenase (5-lo) in intact rat polymorphonuclear leukocyte RPMNL ChEMBL. 2066989

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

1 literature reference was collected for this gene.

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