Detailed information for compound 1446522

Basic information

Technical information
  • TDR Targets ID: 1446522
  • Name: 3-(4-methylphenyl)-1-[[1-(1-phenylethyl)pyrro lidin-3-yl]methyl]thiourea
  • MW: 353.524 | Formula: C21H27N3S
  • H donors: 1 H acceptors: 0 LogP: 4.48 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)NC(=NCC1CCN(C1)C(c1ccccc1)C)S
  • InChi: 1S/C21H27N3S/c1-16-8-10-20(11-9-16)23-21(25)22-14-18-12-13-24(15-18)17(2)19-6-4-3-5-7-19/h3-11,17-18H,12-15H2,1-2H3,(H2,22,23,25)
  • InChiKey: LLJBGGAIUMJLND-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(4-methylphenyl)-1-[[1-(1-phenylethyl)-3-pyrrolidinyl]methyl]thiourea
  • MLS000682540
  • N-(4-methylphenyl)-N'-{[1-(1-phenylethyl)pyrrolidin-3-yl]methyl}thiourea
  • SMR000311897
  • ChemDiv3_013862

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens adrenoceptor beta 2, surface Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei RNA helicase, putative 0.0215 0.4082 0.4062
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0022 0.0103 0.0149
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.693 0.692
Giardia lamblia Ribonuclease H 0.0022 0.0084 0.0051
Brugia malayi nuclear hormone receptor 0.0022 0.0103 0.0186
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 0.1996 0.3604
Echinococcus multilocularis thymidylate kinase 0.0144 0.2623 0.4704
Plasmodium vivax thymidylate kinase, putative 0.0144 0.2623 1
Trypanosoma cruzi thymidylate kinase, putative 0.0144 0.2623 0.2598
Schistosoma mansoni inositol monophosphatase 0.0037 0.0414 0.0809
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0883 0.1595
Trypanosoma cruzi UMP-CMP kinase, mitochondrial, putative 0.0057 0.081 0.078
Schistosoma mansoni intermediate filament proteins 0.0033 0.0312 0.0594
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0414 0.0382
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0883 0.1595
Echinococcus multilocularis ecdysone induced protein 78C 0.0022 0.0103 0.0127
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0103 0.0186
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.1996 0.1969
Schistosoma mansoni phosphoglucomutase 0.0022 0.0084 0.0108
Brugia malayi intermediate filament protein 0.0033 0.0312 0.0564
Loa Loa (eye worm) hypothetical protein 0.0033 0.0312 0.0564
Schistosoma mansoni phosphoglucomutase 0.0022 0.0084 0.0108
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0022 0.0103 0.0149
Onchocerca volvulus 0.0058 0.0843 0.2989
Trypanosoma cruzi thymidylate kinase, putative 0.0144 0.2623 0.2598
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0022 0.0103 0.0127
Schistosoma mansoni hypothetical protein 0.0215 0.4082 0.8611
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.1996 0.1969
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0026 0.0184 0.0152
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0414 0.0382
Trypanosoma cruzi UMP-CMP kinase, mitochondrial, putative 0.0057 0.081 0.078
Echinococcus multilocularis lamin 0.0033 0.0312 0.0507
Loa Loa (eye worm) hypothetical protein 0.0022 0.0103 0.0186
Brugia malayi steroid hormone receptor 0.0022 0.0103 0.0186
Brugia malayi thymidylate kinase 0.0144 0.2623 0.4736
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0168 0.0135
Loa Loa (eye worm) hypothetical protein 0.0022 0.0103 0.0186
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.1996 0.1969
Mycobacterium ulcerans thymidylate kinase 0.0144 0.2623 0.8174
Loa Loa (eye worm) hypothetical protein 0.0022 0.0103 0.0186
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0022 0.0103 0.0186
Schistosoma mansoni hypothetical protein 0.0052 0.0722 0.1464
Loa Loa (eye worm) hypothetical protein 0.0022 0.0103 0.0186
Echinococcus multilocularis FTZ F1 alpha 0.0022 0.0103 0.0127
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0022 0.0103 0.0186
Echinococcus granulosus lamin 0.0033 0.0312 0.0507
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0033 0.006
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0034 0.0332 0.0945
Trypanosoma brucei ribonuclease H1 0.0022 0.0084 0.0051
Plasmodium falciparum thymidylate kinase 0.0144 0.2623 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.693 0.692
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0037 0.0414 0.1469
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0037 0.0414 0.1469
Echinococcus multilocularis transfer RNA-Ile 0.0247 0.4735 0.8541
Schistosoma mansoni coup transcription factor 0.0022 0.0103 0.0149
Brugia malayi hypothetical protein 0.0026 0.0168 0.0303
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0022 0.0103 0.0186
Mycobacterium tuberculosis Thymidylate kinase Tmk (dTMP kinase) (thymidylic acid kinase) (TMPK) 0.0144 0.2623 0.8174
Wolbachia endosymbiont of Brugia malayi thymidylate kinase 0.0144 0.2623 1
Schistosoma mansoni hypothetical protein 0.0041 0.049 0.0971
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0103 0.0186
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.0414 0.0691
Schistosoma mansoni hypothetical protein 0.0144 0.2623 0.5507
Trypanosoma brucei hypothetical protein, conserved 0.0026 0.0184 0.0152
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0037 0.0414 0.1201
Loa Loa (eye worm) hypothetical protein 0.0022 0.0103 0.0186
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0022 0.0103 0.0149
Leishmania major hypothetical protein, conserved 0.0057 0.081 0.078
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0168 0.0135
Brugia malayi ecdysteroid receptor 0.0022 0.0103 0.0186
Entamoeba histolytica Thymidylate kinase, putative 0.0144 0.2623 0.2598
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.3201 1
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0033 0.006
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0022 0.0103 0.0127
Giardia lamblia Kinase, PLK 0.0114 0.1996 0.1969
Trypanosoma brucei polo-like protein kinase 0.0114 0.1996 0.1969
Trypanosoma cruzi thymidine kinase, putative 0.0502 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.1996 0.1969
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0037 0.0414 0.0382
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0168 0.0135
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.0414 0.0691
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0414 0.0382
Trypanosoma brucei ingi protein (ORF1) 0.0026 0.0184 0.0152
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.693 0.692
Loa Loa (eye worm) hypothetical protein 0.0041 0.049 0.0884
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0022 0.0103 0.0127
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0022 0.0103 0.0127
Brugia malayi RNase H family protein 0.0022 0.0084 0.0151
Trypanosoma brucei unspecified product 0.0026 0.0184 0.0152
Brugia malayi photoreceptor-specific nuclear receptor 0.0022 0.0103 0.0186
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0033 0.006
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0033 0.006
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.3201 1
Echinococcus granulosus thymidylate kinase 0.0144 0.2623 0.4704
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0033 0.00000057611
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.0806 0.0776
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0168 0.052
Brugia malayi Nuclear hormone receptor-like 1 0.0022 0.0103 0.0186
Wolbachia endosymbiont of Brugia malayi ribonuclease HI 0.0022 0.0084 0.0196
Onchocerca volvulus Bile acid receptor homolog 0.0022 0.0103 0.0076
Loa Loa (eye worm) hypothetical protein 0.0022 0.0103 0.0186
Onchocerca volvulus 0.0033 0.0312 0.09
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0022 0.0103 0.0127
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.0806 0.0776
Loa Loa (eye worm) hypothetical protein 0.0032 0.03 0.0542
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0022 0.0103 0.0127
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0022 0.0103 0.0186
Loa Loa (eye worm) thymidylate kinase 0.0144 0.2623 0.4736
Schistosoma mansoni thyroid hormone receptor 0.015 0.2737 0.575
Schistosoma mansoni lamin 0.0033 0.0312 0.0594
Onchocerca volvulus 0.0022 0.0103 0.0076
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0022 0.0103 0.0186
Schistosoma mansoni hypothetical protein 0.0128 0.2273 0.4765
Loa Loa (eye worm) hypothetical protein 0.0026 0.0168 0.0303
Trichomonas vaginalis thymidine kinase, putative 0.0502 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.056 0.0957
Trichomonas vaginalis thymidylate kinase, putative 0.0144 0.2623 0.2598
Echinococcus granulosus FTZ F1 alpha 0.0022 0.0103 0.0127
Schistosoma mansoni ap endonuclease 0.0019 0.0033 0.00000067451
Trichomonas vaginalis thymidine kinase, putative 0.0502 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0022 0.0103 0.0149
Echinococcus multilocularis lamin dm0 0.0033 0.0312 0.0507
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0128 0.2273 0.407
Trypanosoma brucei thymidylate kinase, putative 0.0144 0.2623 0.2598
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0103 0.0186
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0033 0.006
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.693 0.692
Onchocerca volvulus 0.0033 0.0312 0.09
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0022 0.0103 0.0127
Echinococcus multilocularis musashi 0.0033 0.0312 0.0507
Trypanosoma cruzi ribonuclease H1, putative 0.0022 0.0084 0.0051
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.5538 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.1996 0.1969
Schistosoma mansoni hypothetical protein 0.0058 0.0843 0.1722
Echinococcus granulosus thymidine kinase 0.0247 0.4735 0.8541
Schistosoma mansoni phosphoglucomutase 0.0022 0.0084 0.0108
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.693 0.692
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0022 0.0103 0.0186
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.056 0.0957
Schistosoma mansoni survival motor neuron protein 0.0058 0.0843 0.1722
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0414 0.0382
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0312 0.0564
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.056 0.112
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.056 0.0957
Echinococcus multilocularis ribonuclease H1 0.0022 0.0084 0.0092
Trypanosoma cruzi ribonuclease H1, putative 0.0022 0.0084 0.0051
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0022 0.0103 0.0186
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0022 0.0103 0.0186
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.693 0.692
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.049 0.0884
Loa Loa (eye worm) hypothetical protein 0.0022 0.0103 0.0186
Leishmania major ribonuclease H1, putative 0.0022 0.0084 0.0051
Schistosoma mansoni kinase 0.0058 0.0837 0.171
Brugia malayi nuclear receptor NHR-88 0.0022 0.0103 0.0186
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.056 0.0957
Brugia malayi Inositol-1 0.0037 0.0414 0.0747
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0414 0.0382
Schistosoma mansoni thyroid hormone receptor 0.015 0.2737 0.575
Mycobacterium leprae probable thymidylate kinase Tmk (dTMP KINASE) (THYMIDYLIC ACID KINASE) (TMPK) 0.0144 0.2623 0.7984
Loa Loa (eye worm) inositol-1 0.0037 0.0414 0.0747
Loa Loa (eye worm) steroid hormone receptor 0.0022 0.0103 0.0186
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 0.693 0.692
Trichomonas vaginalis ribonuclease H1, putative 0.0022 0.0084 0.0051
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.693 0.692
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 0.1996 0.3565
Schistosoma mansoni lamin 0.0033 0.0312 0.0594
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.1996 0.4174
Leishmania major thymidylate kinase-like protein 0.0144 0.2623 0.2598
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.693 0.692
Trichomonas vaginalis thymidine kinase, putative 0.0502 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0103 0.0186
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.3201 1
Echinococcus granulosus ecdysone induced protein 78C 0.0022 0.0103 0.0127
Leishmania major hypothetical protein, conserved 0.0026 0.0168 0.0135
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0103 0.0127
Chlamydia trachomatis thymidylate kinase 0.0144 0.2623 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0103 0.0127
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0022 0.0103 0.0186
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0022 0.0103 0.0127
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0128 0.2273 0.407
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0022 0.0103 0.0186
Loa Loa (eye worm) hypothetical protein 0.0022 0.0103 0.0186
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 0.1996 0.7531
Brugia malayi hypothetical protein 0.0286 0.5538 1
Brugia malayi Steroid receptor seven-up type 2 0.0022 0.0103 0.0186
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0022 0.0103 0.0149
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0022 0.0103 0.0127
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0022 0.0103 0.0149
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0022 0.0103 0.0186
Echinococcus granulosus ribonuclease H1 0.0022 0.0084 0.0092
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0103 0.0186
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0312 0.0564
Trypanosoma brucei thymidine kinase 0.0502 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0168 0.052
Toxoplasma gondii thymidylate kinase 0.0144 0.2623 1
Brugia malayi RNase H family protein 0.0022 0.0084 0.0151
Schistosoma mansoni thymidylate kinase 0.0144 0.2623 0.5507
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0022 0.0103 0.0186
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0414 0.0382
Schistosoma mansoni thymidylate kinase 0.0144 0.2623 0.5507
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.1996 0.1969
Trichomonas vaginalis inositol monophosphatase, putative 0.0037 0.0414 0.0382
Loa Loa (eye worm) hypothetical protein 0.0019 0.0033 0.006
Echinococcus granulosus thymidine kinase 0.0247 0.4735 0.8541
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.1996 0.1969
Schistosoma mansoni RAR-like nuclear receptor 0.0022 0.0103 0.0149
Treponema pallidum thymidylate kinase (tmk) 0.0144 0.2623 0.3755
Echinococcus multilocularis thymidine kinase 0.0247 0.4735 0.8541
Brugia malayi RNase H family protein 0.0022 0.0084 0.0151
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.5538 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0843 0.1522
Trypanosoma brucei ingi protein (ORF1) 0.0026 0.0184 0.0152
Brugia malayi serine/threonine-protein kinase plk-2 0.0114 0.1996 0.3604
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0103 0.0127
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0022 0.0103 0.0186
Trypanosoma brucei thymidylate kinase, putative 0.0144 0.2623 0.2598
Giardia lamblia CDC8 0.0144 0.2623 0.2598
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.056 0.1011
Toxoplasma gondii ribonuclease HI protein 0.0022 0.0084 0.0196
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0022 0.0103 0.0186
Treponema pallidum fructose-bisphosphate aldolase 0.0353 0.693 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0103 0.0127
Echinococcus granulosus Thymidine kinase 2 mitochondrial 0.0247 0.4735 0.8541
Giardia lamblia Deoxynucleoside kinase 0.0381 0.7514 0.7506
Echinococcus multilocularis thyroid hormone receptor alpha 0.015 0.2737 0.4912
Schistosoma mansoni retinoic acid receptor RXR 0.0022 0.0103 0.0149
Treponema pallidum ribonuclease H (rnhA) 0.0022 0.0084 0.0074
Loa Loa (eye worm) hypothetical protein 0.0286 0.5538 1
Trichomonas vaginalis thymidylate kinase, putative 0.0144 0.2623 0.2598
Echinococcus multilocularis thymidine kinase 0.0247 0.4735 0.8541
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.693 0.692
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 0.1996 0.1969
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0168 0.052
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 0.1996 0.3565
Trypanosoma cruzi thymidine kinase, putative 0.0502 1 1
Echinococcus granulosus lamin dm0 0.0033 0.0312 0.0507
Schistosoma mansoni nuclear hormone receptor 0.0022 0.0103 0.0149
Schistosoma mansoni thymidine kinase 0.0247 0.4735 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0022 0.0103 0.0149
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0103 0.0186
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.056 0.112
Echinococcus granulosus intermediate filament protein 0.0033 0.0312 0.0507
Onchocerca volvulus Protein ultraspiracle homolog 0.0022 0.0103 0.0076
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 0.1996 0.1969
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.1996 0.1969
Leishmania major thymidine kinase, putative 0.0502 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0883 0.1595
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.1996 0.1969
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0312 0.0564
Giardia lamblia Thymidine kinase 0.0502 1 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0033 0.00000057611
Onchocerca volvulus Putative thymidylate kinase 0.0144 0.2623 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0168 0.052
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.056 0.112
Schistosoma mansoni ap endonuclease 0.0019 0.0033 0.00000067451
Loa Loa (eye worm) hypothetical protein 0.006 0.0883 0.1595
Schistosoma mansoni inositol monophosphatase 0.0037 0.0414 0.0809
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0022 0.0103 0.0076
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.693 0.692
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.056 0.1011

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1 uM PUBCHEM_BIOASSAY: qHTS assay of beta-arrestin-biased ligands of beta2-adrenergic receptor. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485366, AID485386, AID504448, AID504454, AID504459] ChEMBL. No reference
Potency (functional) = 1.2589 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.4662 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No 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
Potency (functional) = 19.9054 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] 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
Potency (functional) 100 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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