Detailed information for compound 175480

Basic information

Technical information
  • TDR Targets ID: 175480
  • Name: 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1- methyl-3-(2,6,7-trimethyl-1-oxo-4-phenylisoqu inolin-3-yl)urea
  • MW: 561.518 | Formula: C29H25F6N3O2
  • H donors: 1 H acceptors: 2 LogP: 6.08 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)Nc1c(c2ccccc2)c2cc(C)c(cc2c(=O)n1C)C
  • InChi: 1S/C29H25F6N3O2/c1-16-10-22-23(11-17(16)2)26(39)38(4)25(24(22)19-8-6-5-7-9-19)36-27(40)37(3)15-18-12-20(28(30,31)32)14-21(13-18)29(33,34)35/h5-14H,15H2,1-4H3,(H,36,40)
  • InChiKey: IYFACCQJUYZHHO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-methyl-3-(2,6,7-trimethyl-1-oxo-4-phenyl-3-isoquinolyl)urea
  • 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-methyl-3-(2,6,7-trimethyl-1-oxo-4-phenyl-isoquinolin-3-yl)urea
  • 1-[3,5-bis(trifluoromethyl)benzyl]-3-(1-keto-2,6,7-trimethyl-4-phenyl-3-isoquinolyl)-1-methyl-urea

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens tachykinin receptor 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04224 tachykinin receptor 3, putative Get druggable targets OG5_137770 All targets in OG5_137770
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 0.0056 0.1279 0.1277
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0025 0.0444 0.0359
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0128 0.3211 0.3082
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0025 0.0444 0.0444
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0382 1 1
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0008 0.0006 0.0003
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0018 0.0253 0.0251
Mycobacterium tuberculosis Probable reductase 0.0099 0.2424 0.8837
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0027 0.0504 0.0085
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0018 0.0253 0.0253
Loa Loa (eye worm) hypothetical protein 0.0008 0.0006 0.0003
Loa Loa (eye worm) DR-78 0.0008 0.0006 0.0003
Loa Loa (eye worm) phosphatidylinositol 3 0.0025 0.0444 0.0442
Echinococcus granulosus flap endonuclease 1 0.0024 0.0423 0.042
Onchocerca volvulus Protein ultraspiracle homolog 0.0018 0.0253 0.5131
Trichomonas vaginalis flap endonuclease-1, putative 0.0024 0.0423 0.0241
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0018 0.0253 0.0253
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0025 0.0444 0.0263
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0128 0.3211 0.3082
Loa Loa (eye worm) glutathione reductase 0.0043 0.0942 0.094
Trichomonas vaginalis PIKK family atypical protein kinase 0.0206 0.5293 0.5203
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0027 0.0504 0.0441
Plasmodium vivax glutathione reductase, putative 0.0043 0.0942 1
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0025 0.0444 0.0263
Trichomonas vaginalis PIKK family atypical protein kinase 0.0382 1 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0025 0.0444 0.0439
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0008 0.0006 0.0003
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0056 0.1279 0.1277
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0009 0.0033 0.003
Brugia malayi hypothetical protein 0.0009 0.0033 0.0033
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0025 0.0444 0.0023
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.01 0.2445 0.2301
Entamoeba histolytica hypothetical protein 0.0025 0.0444 0.0023
Brugia malayi hypothetical protein 0.0008 0.0006 0.0006
Schistosoma mansoni cpg binding protein 0.0026 0.0488 0.0482
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0128 0.3211 0.3082
Schistosoma mansoni flap endonuclease-1 0.0022 0.0361 0.0355
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0018 0.0253 0.0251
Schistosoma mansoni coup transcription factor 0.0018 0.0253 0.0247
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0099 0.2424 0.8837
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0009 0.0033 0.0026
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0025 0.0444 0.3415
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0025 0.0444 0.0442
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0027 0.0504 0.4201
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0382 1 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0025 0.0444 0.0263
Brugia malayi hypothetical protein 0.0081 0.1941 0.1941
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0018 0.0253 0.0253
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0025 0.0444 0.0263
Loa Loa (eye worm) hypothetical protein 0.0008 0.0006 0.0003
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0025 0.0444 0.0263
Brugia malayi Nuclear hormone receptor-like 1 0.0009 0.0033 0.0033
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0025 0.0444 0.0023
Brugia malayi hypothetical protein 0.0009 0.0033 0.0033
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0008 0.0006 0.0003
Echinococcus multilocularis FTZ F1 alpha 0.0018 0.0253 0.0251
Onchocerca volvulus 0.0025 0.0444 0.9095
Trypanosoma cruzi trypanothione reductase, putative 0.0043 0.0942 0.077
Loa Loa (eye worm) phosphatidylinositol 3 0.0025 0.0444 0.0442
Loa Loa (eye worm) steroid hormone receptor 0.0018 0.0253 0.0251
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0025 0.0444 0.0023
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0018 0.0253 0.0253
Brugia malayi nuclear receptor NHR-67 0.0008 0.0006 0.0006
Trichomonas vaginalis PIKK family atypical protein kinase 0.0304 0.791 0.787
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0009 0.0033 0.003
Echinococcus granulosus FTZ F1 alpha 0.0018 0.0253 0.0251
Loa Loa (eye worm) hypothetical protein 0.0008 0.0006 0.0003
Leishmania major phosphatidylinositol 4-kinase, putative 0.0025 0.0444 0.0263
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0025 0.0444 0.0263
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.01 0.2445 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.0008 0.0006 0.0006
Echinococcus multilocularis 0.0025 0.0444 0.0442
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0025 0.0444 0.0263
Schistosoma mansoni hypothetical protein 0.0375 0.9793 0.9793
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0015 0.0186 0.0186
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0018 0.0253 0.0253
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0018 0.0253 0.0253
Loa Loa (eye worm) phosphatidylinositol 3 0.0025 0.0444 0.0442
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0018 0.0253 0.0253
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0018 0.0253 0.0247
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0382 1 1
Giardia lamblia GTOR 0.0382 1 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0025 0.0444 0.0439
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0072 0.1717 0.156
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0043 0.0942 0.2985
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0072 0.1717 0.1352
Loa Loa (eye worm) hypothetical protein 0.0018 0.0253 0.0251
Plasmodium vivax 6-phosphofructokinase, putative 0.0027 0.0504 0.4201
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0025 0.0444 0.0263
Loa Loa (eye worm) hypothetical protein 0.0008 0.0006 0.0003
Schistosoma mansoni thyroid hormone receptor 0.0018 0.0253 0.0247
Trichomonas vaginalis phosphofructokinase, putative 0.0027 0.0504 0.0324
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0099 0.2424 0.8837
Echinococcus multilocularis ecdysone induced protein 78C 0.0018 0.0253 0.0251
Trichomonas vaginalis phosphofructokinase, putative 0.01 0.2445 0.2301
Echinococcus granulosus dnaJ subfamily B 0.0375 0.9793 0.9793
Loa Loa (eye worm) hypothetical protein 0.0009 0.0033 0.003
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0018 0.0253 0.0253
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0025 0.0444 0.0444
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0025 0.0444 0.0263
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0018 0.0253 0.0251
Trichomonas vaginalis PIKK family atypical protein kinase 0.0206 0.5301 0.5212
Loa Loa (eye worm) hypothetical protein 0.0018 0.0253 0.0251
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0027 0.0504 0.0324
Trichomonas vaginalis PIKK family atypical protein kinase 0.0284 0.7383 0.7333
Brugia malayi 6-phosphofructokinase 0.01 0.2445 0.2445
Trichomonas vaginalis PIKK family atypical protein kinase 0.0206 0.5301 0.5212
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0056 0.1276 0.127
Schistosoma mansoni hypothetical protein 0.0056 0.1279 0.1274
Trichomonas vaginalis PIKK family atypical protein kinase 0.0382 1 1
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0027 0.0504 0.4201
Brugia malayi nuclear hormone receptor 0.0018 0.0253 0.0253
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0018 0.0253 0.0251
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0018 0.0253 0.0251
Echinococcus granulosus 6 phosphofructokinase 0.01 0.2445 0.2443
Loa Loa (eye worm) CXXC zinc finger family protein 0.0026 0.0488 0.0485
Trichomonas vaginalis PIKK family atypical protein kinase 0.0128 0.3211 0.3082
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0025 0.0444 0.0439
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.01 0.2445 0.8795
Brugia malayi nuclear receptor NHR-88 0.0018 0.0253 0.0253
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0382 1 1
Brugia malayi nuclear receptor RXR 0.0009 0.0033 0.0033
Brugia malayi Flap endonuclease-1 0.0024 0.0423 0.0423
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0015 0.0186 0.0184
Loa Loa (eye worm) phosphofructokinase 0.01 0.2445 0.2443
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0025 0.0444 0.0442
Plasmodium vivax 6-phosphofructokinase, putative 0.0027 0.0504 0.4201
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.011 0.2719 1
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0025 0.0444 0.3415
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0018 0.0253 0.0247
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0015 0.0186 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0018 0.0253 0.0251
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0025 0.0444 0.0263
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0072 0.1717 0.1717
Echinococcus multilocularis cpg binding protein 0.0028 0.0528 0.0525
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0025 0.0444 0.0444
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0025 0.0444 0.0439
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0025 0.0444 0.0263
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0025 0.0444 0.3415
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.01 0.2445 0.8918
Leishmania major phosphatidylinositol 3-kinase, putative 0.0128 0.3211 0.3082
Brugia malayi hypothetical protein 0.0008 0.0006 0.0006
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0025 0.0444 0.0442
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0181 0.4616 0.4514
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0072 0.1717 0.1712
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0099 0.2424 0.8837
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0025 0.0444 0.0263
Trichomonas vaginalis PIKK family atypical protein kinase 0.0206 0.5293 0.5203
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0025 0.0444 0.0263
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0027 0.0504 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0228 0.5889 0.5811
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0444 0.0263
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0072 0.1717 0.1715
Loa Loa (eye worm) hypothetical protein 0.0081 0.1941 0.1939
Loa Loa (eye worm) hypothetical protein 0.0018 0.0253 0.0251
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0018 0.0253 0.0251
Echinococcus multilocularis flap endonuclease 1 0.0024 0.0423 0.042
Echinococcus granulosus thioredoxin glutathione reductase 0.0043 0.0942 0.094
Echinococcus multilocularis 6 phosphofructokinase 0.01 0.2445 0.2443
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0011 0.008 0.008
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0018 0.0253 0.0247
Trichomonas vaginalis PIKK family atypical protein kinase 0.0248 0.6416 0.6348
Loa Loa (eye worm) 6-phosphofructokinase 0.01 0.2445 0.2443
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0008 0.0006 0.0003
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0025 0.0444 0.0263
Onchocerca volvulus 0.0025 0.0444 0.9095
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0025 0.0444 0.0359
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0072 0.1717 0.1717
Loa Loa (eye worm) hypothetical protein 0.0008 0.0006 0.0003
Plasmodium vivax hypothetical protein 0.0025 0.0444 0.3415
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0081 0.1938 0.2434
Trichomonas vaginalis phosphofructokinase, putative 0.0027 0.0504 0.0324
Echinococcus multilocularis Zinc finger, PHD finger 0.0025 0.0444 0.0442
Plasmodium falciparum flap endonuclease 1 0.0024 0.0423 0.3125
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0025 0.0444 0.0444
Trichomonas vaginalis PIKK family atypical protein kinase 0.0284 0.7383 0.7333
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0382 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0018 0.0253 0.0251
Trichomonas vaginalis PIKK family atypical protein kinase 0.0226 0.5828 0.5749
Loa Loa (eye worm) hypothetical protein 0.0081 0.1941 0.1939
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.01 0.2445 0.2301
Echinococcus multilocularis nuclear receptor nhr 48 0.0008 0.0006 0.0003
Trichomonas vaginalis PIKK family atypical protein kinase 0.0304 0.791 0.787
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0099 0.2424 0.8837
Trichomonas vaginalis PIKK family atypical protein kinase 0.0228 0.5889 0.5811
Trichomonas vaginalis PIKK family atypical protein kinase 0.0103 0.2526 0.2384
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0018 0.0253 0.0251
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0009 0.0033 0.0026
Brugia malayi glutathione reductase 0.0043 0.0942 0.0942
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0018 0.0253 0.0251
Trypanosoma cruzi target of rapamycin kinase 3 0.0304 0.7918 0.7879
Trichomonas vaginalis phosphofructokinase, putative 0.01 0.2445 0.2301
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0444 0.0263
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0018 0.0253 0.0253
Echinococcus granulosus ecdysone induced protein 78C 0.0018 0.0253 0.0251
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0025 0.0444 0.0023
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0025 0.0444 0.0442
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0018 0.0253 0.0253
Plasmodium vivax thioredoxin reductase, putative 0.0043 0.0942 1
Leishmania major trypanothione reductase 0.0043 0.0942 0.077
Echinococcus granulosus Nuclear hormone receptor HR96 0.0008 0.0006 0.0003
Echinococcus multilocularis dnaJ subfamily B 0.0375 0.9793 0.9793
Trichomonas vaginalis PIKK family atypical protein kinase 0.0128 0.3211 0.3082
Brugia malayi FAT domain containing protein 0.0056 0.1279 0.1279
Brugia malayi nuclear receptor NHR-88 0.0008 0.0006 0.0006
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0382 1 1
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0056 0.1279 0.1277
Toxoplasma gondii phosphofructokinase PFKII 0.0027 0.0504 0.0441
Echinococcus multilocularis thyroid hormone receptor alpha 0.0018 0.0253 0.0251
Loa Loa (eye worm) hypothetical protein 0.0078 0.1867 0.1865
Trypanosoma brucei trypanothione reductase 0.0043 0.0942 0.077
Loa Loa (eye worm) hypothetical protein 0.0008 0.0006 0.0003
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0025 0.0444 0.0439
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0025 0.0444 0.0442
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0008 0.0006 0.0003
Brugia malayi phosphofructokinase 0.01 0.2445 0.2445
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0015 0.0186 0.018
Loa Loa (eye worm) hypothetical protein 0.0008 0.0006 0.0003
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0018 0.0253 0.0251
Loa Loa (eye worm) hypothetical protein 0.0009 0.0033 0.003
Loa Loa (eye worm) hypothetical protein 0.0008 0.0006 0.0003
Giardia lamblia Flap structure-specific endonuclease 0.0024 0.0423 0.0241
Trichomonas vaginalis conserved hypothetical protein 0.0056 0.1279 0.1113
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0018 0.0253 0.0253
Loa Loa (eye worm) hypothetical protein 0.0018 0.0253 0.0251
Leishmania major phosphatidylinositol kinase related protein, putative 0.0025 0.0444 0.0263
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0025 0.0444 0.0263
Onchocerca volvulus 0.0018 0.0253 0.5131
Trichomonas vaginalis PIKK family atypical protein kinase 0.0228 0.5889 0.5811
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0008 0.0006 0.0003
Schistosoma mansoni nuclear hormone receptor 0.0018 0.0253 0.0247
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0025 0.0444 0.0442
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0128 0.3211 0.3209
Trichomonas vaginalis PIKK family atypical protein kinase 0.0072 0.1717 0.156
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0025 0.0444 0.0442
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0025 0.0444 0.0442
Schistosoma mansoni 6-phosphofructokinase 0.01 0.2445 0.244
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0025 0.0444 0.3415
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.011 0.2719 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0099 0.2424 0.8837
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0027 0.0504 0.1406
Schistosoma mansoni hypothetical protein 0.0025 0.0444 0.0439
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0018 0.0253 0.0251
Brugia malayi ecdysone receptor 0.0008 0.0006 0.0006
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0025 0.0444 0.0442
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0025 0.0444 0.0263
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0025 0.0444 0.0263
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0018 0.0253 0.5131
Loa Loa (eye worm) hypothetical protein 0.0009 0.0033 0.003
Mycobacterium tuberculosis Probable oxidoreductase 0.011 0.2719 1
Loa Loa (eye worm) hypothetical protein 0.0008 0.0006 0.0003
Entamoeba histolytica phosphofructokinase, putative 0.01 0.2445 0.2112
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0018 0.0253 0.0247
Entamoeba histolytica hypothetical protein 0.0072 0.1717 0.1352
Brugia malayi orphan nuclear receptor NR2E1 0.0008 0.0006 0.0006
Schistosoma mansoni retinoic acid receptor RXR 0.0018 0.0253 0.0247
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0011 0.008 0.008
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0025 0.0444 0.0442
Plasmodium vivax hypothetical protein, conserved 0.0025 0.0444 0.3415
Plasmodium vivax flap endonuclease 1, putative 0.0024 0.0423 0.3125
Schistosoma mansoni cpg binding protein 0.0028 0.0528 0.0522
Trichomonas vaginalis phosphofructokinase, putative 0.01 0.2445 0.2301
Loa Loa (eye worm) phosphatidylinositol 3 0.0128 0.3211 0.3209
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0018 0.0253 0.0251
Loa Loa (eye worm) hypothetical protein 0.0018 0.0253 0.0251
Loa Loa (eye worm) phosphatidylinositol kinase 0.0025 0.0444 0.0442
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0024 0.0423 0.0241
Trichomonas vaginalis PIKK family atypical protein kinase 0.0304 0.791 0.787
Trichomonas vaginalis PIKK family atypical protein kinase 0.0226 0.5828 0.5749
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0025 0.0444 0.0263
Entamoeba histolytica hypothetical protein 0.0025 0.0444 0.0023
Trichomonas vaginalis PIKK family atypical protein kinase 0.0206 0.5301 0.5212
Loa Loa (eye worm) hypothetical protein 0.0008 0.0006 0.0003
Loa Loa (eye worm) hypothetical protein 0.0018 0.0253 0.0251
Toxoplasma gondii 6-phosphofructokinase 0.0027 0.0504 0.0441
Trichomonas vaginalis PIKK family atypical protein kinase 0.0072 0.1717 0.156
Brugia malayi conserved hypotetical protein 0.0008 0.0006 0.0006
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0015 0.0186 0.5
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0025 0.0444 0.0359
Echinococcus granulosus serine protein kinase ATM 0.0072 0.1717 0.1715
Loa Loa (eye worm) phosphatidylinositol 3 0.0025 0.0444 0.0442
Trichomonas vaginalis phosphofructokinase, putative 0.01 0.2445 0.2301
Loa Loa (eye worm) hypothetical protein 0.0008 0.0006 0.0003
Toxoplasma gondii histone lysine methyltransferase SET1 0.005 0.1117 0.1293
Brugia malayi ecdysteroid receptor 0.0018 0.0253 0.0253
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0099 0.2424 0.8705
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0018 0.0253 0.0251
Entamoeba histolytica phosphofructokinase, putative 0.01 0.2445 0.2112
Trichomonas vaginalis PIKK family atypical protein kinase 0.0284 0.7383 0.7333
Entamoeba histolytica hypothetical protein 0.0025 0.0444 0.0023
Brugia malayi nuclear hormone receptor family member odr-7 0.0008 0.0006 0.0006
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0018 0.0253 0.0247
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0018 0.0253 0.0253
Loa Loa (eye worm) hypothetical protein 0.0025 0.0444 0.0442
Trichomonas vaginalis PIKK family atypical protein kinase 0.0284 0.7383 0.7333
Trichomonas vaginalis PIKK family atypical protein kinase 0.0284 0.7383 0.7333
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0025 0.0444 0.0263
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0015 0.0186 0.0184
Entamoeba histolytica phosphofructokinase, putative 0.01 0.2445 0.2112
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.011 0.2719 1
Trichomonas vaginalis phosphofructokinase, putative 0.0027 0.0504 0.0324
Trichomonas vaginalis conserved hypothetical protein 0.0081 0.1938 0.1785
Onchocerca volvulus 0.0026 0.0488 1
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0025 0.0444 0.0442
Leishmania major ATP-dependent phosphofructokinase 0.01 0.2445 0.2301
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0025 0.0444 0.0439
Brugia malayi photoreceptor-specific nuclear receptor 0.0018 0.0253 0.0253
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0128 0.3211 0.3082
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0018 0.0253 0.0251
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0382 1 1
Giardia lamblia Hypothetical protein 0.0025 0.0444 0.0263
Brugia malayi Nuclear hormone receptor-like 1 0.0018 0.0253 0.0253
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0018 0.0253 0.0251
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0008 0.0006 0.0006
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0025 0.0444 0.0442
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0025 0.0444 0.0359
Loa Loa (eye worm) hypothetical protein 0.0081 0.1938 0.1936
Echinococcus granulosus nuclear receptor nhr 48 0.0008 0.0006 0.0003
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0025 0.0444 0.3415
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0018 0.0253 0.0251
Schistosoma mansoni eyes absent homolog 0.0081 0.1941 0.1936
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0025 0.0444 0.0023
Leishmania major phosphatidylinositol kinase, putative 0.0025 0.0444 0.0263
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0128 0.3211 0.3082
Loa Loa (eye worm) phosphatidylinositol 3 0.0382 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0018 0.0253 0.0247
Loa Loa (eye worm) hypothetical protein 0.0009 0.0033 0.003
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0025 0.0444 0.0263
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0009 0.0033 0.003
Trichomonas vaginalis PIKK family atypical protein kinase 0.0284 0.7383 0.7333
Brugia malayi CXXC zinc finger family protein 0.0026 0.0488 0.0488
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0025 0.0444 0.0023
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0025 0.0444 0.0263
Toxoplasma gondii target of rapamycin (TOR), putative 0.0284 0.7383 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0304 0.791 0.787
Echinococcus granulosus cpg binding protein 0.0028 0.0528 0.0525
Schistosoma mansoni thyroid hormone receptor 0.0018 0.0253 0.0247
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0048 0.1058 0.0889
Loa Loa (eye worm) hypothetical protein 0.0018 0.0253 0.0251
Loa Loa (eye worm) thioredoxin reductase 0.0043 0.0942 0.094
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0025 0.0444 0.0263
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0025 0.0444 0.0442
Brugia malayi Thioredoxin reductase 0.0043 0.0942 0.0942
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0304 0.7918 0.7879
Trichomonas vaginalis PIKK family atypical protein kinase 0.0128 0.3211 0.3082
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0025 0.0444 0.0263
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0159 0.4028 0.3915
Loa Loa (eye worm) nuclear hormone receptor 0.0008 0.0006 0.0003
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0025 0.0444 0.0263
Plasmodium falciparum thioredoxin reductase 0.0043 0.0942 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0025 0.0444 0.0444
Trichomonas vaginalis PIKK family atypical protein kinase 0.0128 0.3211 0.3082
Entamoeba histolytica protein kinase rad3, putative 0.0072 0.1717 0.1352
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0025 0.0444 0.0444
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0382 1 1
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0024 0.0423 0.0328
Giardia lamblia Phosphatidylinositol 4-kinase 0.0025 0.0444 0.0263
Brugia malayi Nuclear hormone receptor E75 0.0008 0.0006 0.0006
Leishmania major phosphatidylinositol 3-kinase, putative 0.0025 0.0444 0.0263
Echinococcus granulosus thyroid hormone receptor alpha 0.0008 0.0006 0.0003
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0024 0.0423 0.0241
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0018 0.0253 0.0251
Schistosoma mansoni fkbp-rapamycin associated protein 0.0072 0.1717 0.1712
Loa Loa (eye worm) hypothetical protein 0.0008 0.0006 0.0003
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0018 0.0253 0.0253
Loa Loa (eye worm) hypothetical protein 0.0009 0.0033 0.003
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0072 0.1717 0.1715
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0382 1 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.1717 0.1715
Trichomonas vaginalis PIKK family atypical protein kinase 0.0256 0.6637 0.6573
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0018 0.0253 0.0247
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0128 0.3211 0.3211
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0025 0.0444 0.0442
Loa Loa (eye worm) flap endonuclease-1 0.0024 0.0423 0.042
Loa Loa (eye worm) nuclear receptor NHR-67 0.0008 0.0006 0.0003
Loa Loa (eye worm) phosphatidylinositol 3 0.0025 0.0444 0.0442
Entamoeba histolytica hypothetical protein 0.0025 0.0444 0.0023
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0025 0.0444 0.0263
Onchocerca volvulus Bile acid receptor homolog 0.0018 0.0253 0.5131
Trichomonas vaginalis PIKK family atypical protein kinase 0.0326 0.8506 0.8478
Brugia malayi Steroid receptor seven-up type 2 0.0018 0.0253 0.0253
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0025 0.0444 0.0263
Plasmodium falciparum glutathione reductase 0.0043 0.0942 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0304 0.791 0.787
Trichomonas vaginalis phosphofructokinase, putative 0.0027 0.0504 0.0324
Mycobacterium ulcerans 6-phosphofructokinase 0.01 0.2445 1
Trichomonas vaginalis phosphofructokinase, putative 0.0027 0.0504 0.0324
Loa Loa (eye worm) 6-phosphofructokinase 0.01 0.2445 0.2443
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0025 0.0444 0.0263
Toxoplasma gondii FATC domain-containing protein 0.0072 0.1717 0.2128
Loa Loa (eye worm) hypothetical protein 0.0048 0.1058 0.1056
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0025 0.0444 0.0023
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0025 0.0444 0.3415
Trichomonas vaginalis PIKK family atypical protein kinase 0.0048 0.1058 0.0889
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0072 0.1717 0.156
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0382 1 1
Trichomonas vaginalis phosphofructokinase, putative 0.0027 0.0504 0.0324
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0018 0.0253 0.0251
Brugia malayi nuclear hormone receptor 0.0008 0.0006 0.0006
Schistosoma mansoni cpg binding protein 0.0028 0.0528 0.0522
Schistosoma mansoni 6-phosphofructokinase 0.01 0.2445 0.244
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0027 0.0504 1
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0072 0.1717 0.156
Trichomonas vaginalis PIKK family atypical protein kinase 0.0206 0.5301 0.5212
Brugia malayi 6-phosphofructokinase 0.01 0.2445 0.2445
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0025 0.0444 0.0442
Mycobacterium tuberculosis Conserved hypothetical protein 0.0025 0.0444 0.1019
Leishmania major hypothetical protein, conserved 0.0025 0.0444 0.0263
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0128 0.3211 0.3209
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0025 0.0444 0.0263
Brugia malayi nuclear receptor RXR 0.0008 0.0006 0.0006
Brugia malayi steroid hormone receptor 0.0018 0.0253 0.0253
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0025 0.0444 0.0444
Trichomonas vaginalis PIKK family atypical protein kinase 0.0072 0.1717 0.156
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0025 0.0444 0.0439
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0304 0.7918 0.7879
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0008 0.0006 0.0003
Trichomonas vaginalis PIKK family atypical protein kinase 0.0206 0.5293 0.5203
Trichomonas vaginalis conserved hypothetical protein 0.0048 0.1058 0.0889
Trichomonas vaginalis PIKK family atypical protein kinase 0.0382 1 1
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0025 0.0444 0.0263
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0025 0.0444 0.0359
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0008 0.0006 0.0003
Trichomonas vaginalis PIKK family atypical protein kinase 0.0128 0.3211 0.3082
Echinococcus multilocularis serine protein kinase ATM 0.0072 0.1717 0.1715
Loa Loa (eye worm) hypothetical protein 0.0018 0.0253 0.0251
Loa Loa (eye worm) hypothetical protein 0.0008 0.0006 0.0003
Echinococcus granulosus Nuclear hormone receptor HR96 0.0008 0.0006 0.0003
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0025 0.0444 0.3415
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0382 1 1
Brugia malayi tailless protein 0.0008 0.0006 0.0006
Schistosoma mansoni RAR-like nuclear receptor 0.0018 0.0253 0.0247
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0025 0.0444 0.0023
Brugia malayi Nuclear hormone receptor-like 1 0.0009 0.0033 0.0033
Toxoplasma gondii thioredoxin reductase 0.0043 0.0942 0.1051
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0025 0.0444 0.0263
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0018 0.0253 0.0251
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0128 0.3211 0.3207
Brugia malayi Nuclear hormone receptor E75 0.0008 0.0006 0.0006
Leishmania major hypothetical protein, unknown function 0.0025 0.0444 0.0263
Echinococcus multilocularis thioredoxin glutathione reductase 0.0043 0.0942 0.094
Loa Loa (eye worm) hypothetical protein 0.0025 0.0444 0.0442
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0027 0.0504 0.0324
Trichomonas vaginalis PIKK family atypical protein kinase 0.0284 0.7383 0.7333
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0024 0.0423 0.0241

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 54 nM Inhibition of [125I]-BH-Substance P binding to tachykinin receptor 1 in human IM-9 cells ChEMBL. 7543579
IC50 (binding) = 54 nM Inhibition of [125I]-BH-Substance P binding to tachykinin receptor 1 in human IM-9 cells ChEMBL. 7543579

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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