Detailed information for compound 998797

Basic information

Technical information
  • TDR Targets ID: 998797
  • Name: 3-(2,5-difluorophenyl)-1-(3-propoxypropyl)thi ourea
  • MW: 288.357 | Formula: C13H18F2N2OS
  • H donors: 2 H acceptors: 0 LogP: 2.83 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCOCCCNC(=S)Nc1cc(F)ccc1F
  • InChi: 1S/C13H18F2N2OS/c1-2-7-18-8-3-6-16-13(19)17-12-9-10(14)4-5-11(12)15/h4-5,9H,2-3,6-8H2,1H3,(H2,16,17,19)
  • InChiKey: QKYZTCIQIBYMTI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0122 0.3204 0.3204
Entamoeba histolytica hypothetical protein 0.0035 0.0591 0.8368
Echinococcus multilocularis lamin 0.0026 0.0334 0.0334
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0062 0.1403 0.5
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0062 0.1403 1
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0066 0.1516 0.2829
Echinococcus multilocularis hypothetical protein 0.002 0.0127 0.0127
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0146 0.0385
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.0146 0.0146
Schistosoma mansoni hypothetical protein 0.0173 0.4741 0.8846
Brugia malayi nuclear hormone receptor 0.002 0.0146 0.0385
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.0146 0.0271
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.0146 0.0385
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1392 0.2598
Echinococcus granulosus calpain 5 0.002 0.0127 0.0127
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0141 0.3781 0.7054
Loa Loa (eye worm) RNA binding protein 0.0062 0.1392 0.2598
Loa Loa (eye worm) hypothetical protein 0.0051 0.107 0.1996
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.002 0.0127 0.5
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0141 0.3781 0.3781
Trypanosoma brucei antigen, putative 0.002 0.0127 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.0146 0.0271
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.002 0.0127 0.5
Brugia malayi nuclear receptor NHR-88 0.002 0.0146 0.0385
Onchocerca volvulus 0.0051 0.107 0.2929
Echinococcus multilocularis musashi 0.0026 0.0334 0.0334
Loa Loa (eye worm) hypothetical protein 0.0048 0.0997 0.1861
Schistosoma mansoni lamin 0.0026 0.0334 0.0624
Schistosoma mansoni calpain (C02 family) 0.002 0.0127 0.0237
Loa Loa (eye worm) calpain 0.002 0.0127 0.0237
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0122 0.3204 0.3204
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0062 0.1403 0.1403
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.0146 0.0271
Schistosoma mansoni cellular tumor antigen P53 0.0051 0.107 0.1996
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.002 0.0127 0.5
Onchocerca volvulus Huntingtin homolog 0.0125 0.33 1
Schistosoma mansoni calpain-7 (C02 family) 0.002 0.0127 0.0237
Entamoeba histolytica hypothetical protein 0.0035 0.0591 0.8368
Trypanosoma brucei calpain-like protein, putative 0.002 0.0127 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0146 0.0385
Echinococcus multilocularis transient receptor potential gamma protein 0.0193 0.536 0.536
Echinococcus granulosus FTZ F1 alpha 0.002 0.0146 0.0146
Loa Loa (eye worm) hypothetical protein 0.0026 0.0334 0.0624
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.0146 0.0146
Loa Loa (eye worm) hypothetical protein 0.002 0.0146 0.0271
Echinococcus multilocularis thyroid hormone receptor alpha 0.0142 0.3811 0.3811
Onchocerca volvulus 0.0046 0.0928 0.248
Loa Loa (eye worm) hypothetical protein 0.0066 0.1516 0.2829
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.0146 0.0385
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0334 0.0885
Loa Loa (eye worm) hypothetical protein 0.0066 0.1516 0.2829
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0334 0.0624
Echinococcus granulosus geminin 0.0173 0.4741 0.4741
Schistosoma mansoni thyroid hormone receptor 0.0142 0.3811 0.7111
Echinococcus granulosus TRP transient receptor potential channel 0.0072 0.1703 0.1703
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0041 0.0786 1
Echinococcus multilocularis calpain 0.002 0.0127 0.0127
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0062 0.1403 0.1403
Echinococcus multilocularis calpain family protein 1, d 0.0046 0.0928 0.0928
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.0146 0.0146
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.0146 0.0146
Loa Loa (eye worm) TAR-binding protein 0.0062 0.1392 0.2598
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.002 0.0127 0.5
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.002 0.0127 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0146 0.0146
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0146 0.0385
Echinococcus granulosus histone acetyltransferase KAT2B 0.0137 0.3662 0.3662
Echinococcus granulosus intermediate filament protein 0.0026 0.0334 0.0334
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0334 0.0624
Entamoeba histolytica hypothetical protein 0.0035 0.0591 0.8368
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.0146 0.0385
Echinococcus multilocularis tumor protein p63 0.0348 1 1
Brugia malayi calpain 5 0.002 0.0127 0.0336
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.002 0.0127 0.5
Schistosoma mansoni coup transcription factor 0.002 0.0146 0.0271
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.0682 0.5
Schistosoma mansoni transient receptor potential channel 0.0193 0.536 1
Brugia malayi intermediate filament protein 0.0026 0.0334 0.0885
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1392 0.2598
Echinococcus granulosus transient receptor potential gamma protein 0.0193 0.536 0.536
Echinococcus granulosus tar DNA binding protein 0.0062 0.1392 0.1392
Loa Loa (eye worm) hypothetical protein 0.0033 0.0536 0.1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.0146 0.0385
Trichomonas vaginalis bromodomain-containing protein, putative 0.0041 0.0786 0.5
Echinococcus granulosus short transient receptor potential channel 6 0.0128 0.3389 0.3389
Echinococcus granulosus calpain 0.002 0.0127 0.0127
Loa Loa (eye worm) hypothetical protein 0.002 0.0146 0.0271
Loa Loa (eye worm) calpain family protein 1 0.0046 0.0928 0.1731
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0591 0.0591
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.002 0.0127 0.5
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.0146 0.0385
Loa Loa (eye worm) hypothetical protein 0.002 0.0146 0.0271
Echinococcus granulosus short transient receptor potential channel 6 0.0128 0.3389 0.3389
Brugia malayi Steroid receptor seven-up type 2 0.002 0.0146 0.0385
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.0146 0.0271
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.002 0.0127 0.5
Entamoeba histolytica hypothetical protein 0.0035 0.0591 0.8368
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.0146 0.0146
Loa Loa (eye worm) hypothetical protein 0.002 0.0146 0.0271
Trypanosoma brucei kinesin, putative 0.002 0.0127 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1392 0.2598
Trypanosoma cruzi kinesin, putative 0.002 0.0127 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0146 0.0385
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.0146 0.0271
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.0146 0.0385
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.0146 0.0271
Onchocerca volvulus 0.0026 0.0334 0.0599
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.0146 0.0271
Schistosoma mansoni hypothetical protein 0.0173 0.4741 0.8846
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0069 0.1617 0.1617
Trypanosoma brucei calpain-like protein, putative 0.002 0.0127 0.5
Brugia malayi steroid hormone receptor 0.002 0.0146 0.0385
Schistosoma mansoni transient receptor potential channel 0.0128 0.3389 0.6323
Loa Loa (eye worm) hypothetical protein 0.0125 0.33 0.6157
Brugia malayi hypothetical protein 0.0035 0.0591 0.1564
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0146 0.0146
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.0146 0.0271
Brugia malayi Transient-receptor-potential like protein 0.0072 0.1703 0.4505
Echinococcus multilocularis calpain 7 (C02 family) 0.002 0.0127 0.0127
Echinococcus multilocularis geminin 0.0173 0.4741 0.4741
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0146 0.0385
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.002 0.0127 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.1403 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.1403 0.5
Loa Loa (eye worm) calpain family protein 1 0.0066 0.1516 0.2829
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.0146 0.0385
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0146 0.0146
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.1403 0.2617
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0069 0.1617 0.3018
Loa Loa (eye worm) hypothetical protein 0.0193 0.536 1
Brugia malayi TAR-binding protein 0.0062 0.1392 0.3683
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.1403 0.2617
Schistosoma mansoni Mername-AA248 (C02 family) 0.002 0.0127 0.0237
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.0146 0.0146
Echinococcus granulosus transient receptor potential ion channel A 0.0187 0.5166 0.5166
Echinococcus granulosus calpain A 0.002 0.0127 0.0127
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.0146 0.0271
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.0146 0.0385
Schistosoma mansoni nuclear hormone receptor 0.002 0.0146 0.0271
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0072 0.1703 0.1703
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.1392 0.3683
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.0146 0.0146
Toxoplasma gondii aldehyde dehydrogenase 0.0062 0.1403 1
Loa Loa (eye worm) calpain 5 0.002 0.0127 0.0237
Loa Loa (eye worm) hypothetical protein 0.0122 0.3195 0.596
Schistosoma mansoni transient receptor potential channel 0.0128 0.3389 0.6323
Echinococcus multilocularis calpain 5 0.002 0.0127 0.0127
Echinococcus multilocularis lamin dm0 0.0026 0.0334 0.0334
Brugia malayi calpain family protein 1 0.0066 0.1516 0.4011
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.002 0.0127 0.5
Loa Loa (eye worm) hypothetical protein 0.002 0.0146 0.0271
Brugia malayi calpain 7 0.002 0.0127 0.0336
Loa Loa (eye worm) steroid hormone receptor 0.002 0.0146 0.0271
Schistosoma mansoni thyroid hormone receptor 0.0142 0.3811 0.7111
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.0146 0.0271
Echinococcus granulosus calpain A 0.0069 0.1617 0.1617
Brugia malayi calpain family protein 1 0.0066 0.1516 0.4011
Loa Loa (eye worm) hypothetical protein 0.0046 0.0928 0.1731
Schistosoma mansoni intermediate filament proteins 0.0026 0.0334 0.0624
Echinococcus granulosus calpain 7 C02 family 0.002 0.0127 0.0127
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0041 0.0786 0.5
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.0146 0.0146
Onchocerca volvulus Huntingtin homolog 0.0125 0.33 1
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0536 0.1417
Trypanosoma brucei calpain-like protein, putative 0.002 0.0127 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1392 0.2598
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0997 0.2638
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0591 0.0591
Echinococcus multilocularis short transient receptor potential channel 6 0.0128 0.3389 0.3389
Loa Loa (eye worm) hypothetical protein 0.002 0.0146 0.0271
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.0146 0.0146
Echinococcus multilocularis tar DNA binding protein 0.0062 0.1392 0.1392
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0591 0.1103
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.1392 0.2598
Trypanosoma cruzi calpain cysteine peptidase, putative 0.002 0.0127 0.5
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.0682 0.5
Onchocerca volvulus 0.0026 0.0334 0.0599
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0069 0.1617 0.3018
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.0146 0.0146
Echinococcus granulosus lamin dm0 0.0026 0.0334 0.0334
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.0146 0.0271
Schistosoma mansoni calpain-7 (C02 family) 0.002 0.0127 0.0237
Loa Loa (eye worm) hypothetical protein 0.0072 0.1703 0.3178
Schistosoma mansoni lamin 0.0026 0.0334 0.0624
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0069 0.1617 0.1617
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.0682 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.0146 0.0385
Loa Loa (eye worm) hypothetical protein 0.002 0.0146 0.0271
Loa Loa (eye worm) hypothetical protein 0.002 0.0146 0.0271
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.0146 0.0271
Schistosoma mansoni transient receptor potential channel 4 0.0193 0.536 1
Trypanosoma cruzi kinesin, putative 0.002 0.0127 0.5
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.0146 0.0271
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.0146 0.0271
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.0146 0.0271
Loa Loa (eye worm) hypothetical protein 0.0046 0.0928 0.1731
Loa Loa (eye worm) hypothetical protein 0.0125 0.33 0.6157
Echinococcus granulosus lamin 0.0026 0.0334 0.0334
Trypanosoma brucei calpain-like protein, putative 0.002 0.0127 0.5
Brugia malayi RNA binding protein 0.0062 0.1392 0.3683
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0146 0.0385
Brugia malayi hypothetical protein 0.0125 0.33 0.8729
Loa Loa (eye worm) hypothetical protein 0.0066 0.1509 0.2816
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.0146 0.0271
Echinococcus granulosus histone acetyltransferase KAT2B 0.0041 0.0786 0.0786
Echinococcus multilocularis calpain A 0.0069 0.1617 0.1617
Echinococcus multilocularis transient receptor potential ion channel A 0.0187 0.5166 0.5166
Echinococcus multilocularis short transient receptor potential channel 6 0.0128 0.3389 0.3389
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.1403 0.5
Schistosoma mansoni hypothetical protein 0.0033 0.0536 0.1
Schistosoma mansoni hypothetical protein 0.0035 0.0591 0.1103
Loa Loa (eye worm) acetyltransferase 0.0141 0.3781 0.7054
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0997 0.1861
Echinococcus multilocularis FTZ F1 alpha 0.002 0.0146 0.0146
Brugia malayi ecdysteroid receptor 0.002 0.0146 0.0385
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0146 0.0146
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1392 0.2598
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0997 0.2638
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.0146 0.0146
Brugia malayi acetyltransferase, GNAT family protein 0.0141 0.3781 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.032 0.0597
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.002 0.0127 0.5
Schistosoma mansoni hypothetical protein 0.0122 0.3204 0.5978
Schistosoma mansoni calpain C (C02 family) 0.002 0.0127 0.0237

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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