Detailed information for compound 1440864

Basic information

Technical information
  • TDR Targets ID: 1440864
  • Name: 2-[2-methoxy-4-(piperidine-1-carbothioyl)phen oxy]-1-pyrrolidin-1-ylethanone
  • MW: 362.486 | Formula: C19H26N2O3S
  • H donors: 0 H acceptors: 1 LogP: 2.79 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1OCC(=O)N1CCCC1)C(=S)N1CCCCC1
  • InChi: 1S/C19H26N2O3S/c1-23-17-13-15(19(25)21-11-3-2-4-12-21)7-8-16(17)24-14-18(22)20-9-5-6-10-20/h7-8,13H,2-6,9-12,14H2,1H3
  • InChiKey: QJKYLUFBFUTOSK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[2-methoxy-4-(piperidine-1-carbothioyl)phenoxy]-1-pyrrolidin-1-yl-ethanone
  • 2-[2-methoxy-4-(1-piperidyl-thioxomethyl)phenoxy]-1-1-pyrrolidinylethanone
  • 2-(2-methoxy-4-piperidin-1-ylcarbothioyl-phenoxy)-1-pyrrolidin-1-yl-ethanone
  • SMR000076486
  • ZINC01118236
  • 1-({3-methoxy-4-[2-oxo-2-(1-pyrrolidinyl)ethoxy]phenyl}carbonothioyl)piperidine
  • MLS000050537

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis Glutaredoxin protein 5 0.0041 0.0159 0.0159
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.1939 1 1
Loa Loa (eye worm) hypothetical protein 0.0409 0.2063 0.2063
Echinococcus granulosus serine:threonine protein kinase N2 0.0022 0.0056 0.0056
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0125 0.0593 0.0439
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0125 0.0593 0.0542
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0022 0.0056 0.0056
Entamoeba histolytica hypothetical protein 0.0125 0.0593 0.054
Echinococcus granulosus Glutaredoxin protein 5 0.0041 0.0159 0.0159
Brugia malayi Protein kinase domain containing protein 0.0067 0.0292 0.0292
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0125 0.0593 0.0593
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0125 0.0593 0.0593
Mycobacterium tuberculosis Conserved hypothetical protein 0.0125 0.0593 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.1442 0.7423 0.7409
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0125 0.0593 0.0439
Trichomonas vaginalis PIKK family atypical protein kinase 0.1442 0.7423 0.7409
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0022 0.0056 0.0056
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0125 0.0593 0.054
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0125 0.0593 0.0439
Toxoplasma gondii target of rapamycin (TOR), putative 0.1442 0.7423 1
Trichomonas vaginalis conserved hypothetical protein 0.0284 0.1414 0.1368
Trichomonas vaginalis PIKK family atypical protein kinase 0.1442 0.7423 0.7409
Trichomonas vaginalis PIKK family atypical protein kinase 0.1301 0.6689 0.6672
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0125 0.0593 0.031
Trichomonas vaginalis AGC family protein kinase 0.0067 0.0292 0.024
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0125 0.0593 0.0593
Entamoeba histolytica PH domain containing protein kinase, putative 0.0046 0.0182 0.0127
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.1939 1 1
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0022 0.0056 0.0056
Trichomonas vaginalis conserved hypothetical protein 0.0409 0.2063 0.2021
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0284 0.1414 0.1414
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0125 0.0593 0.0593
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0125 0.0593 0.054
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0125 0.0593 1
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0125 0.0593 0.0439
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0367 0.1846 0.1846
Trichomonas vaginalis PIKK family atypical protein kinase 0.1046 0.5366 0.5341
Schistosoma mansoni hypothetical protein 0.0125 0.0593 0.0593
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0125 0.0593 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1047 0.5374 0.5349
Trichomonas vaginalis PIKK family atypical protein kinase 0.1543 0.7942 0.7931
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0125 0.0593 0.031
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0063 0.027 0.027
Trichomonas vaginalis PIKK family atypical protein kinase 0.065 0.3316 0.328
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0367 0.1846 0.1846
Trichomonas vaginalis PIKK family atypical protein kinase 0.1442 0.7423 0.7409
Loa Loa (eye worm) hypothetical protein 0.0367 0.1846 0.1846
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0125 0.0593 0.0439
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0125 0.0593 0.0542
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0367 0.1846 0.1712
Schistosoma mansoni serine/threonine-protein kinase 0.0046 0.0182 0.0182
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0125 0.0593 0.0593
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0037 0.0138 0.0138
Echinococcus multilocularis Zinc finger, PHD finger 0.0125 0.0593 0.0593
Loa Loa (eye worm) AGC/NDR protein kinase 0.0022 0.0056 0.0056
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0042 0.0161 0.0161
Schistosoma mansoni serine/threonine protein kinase 0.0022 0.0056 0.0056
Loa Loa (eye worm) hypothetical protein 0.0032 0.0112 0.0112
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0125 0.0593 0.0451
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0125 0.0593 0.0593
Echinococcus granulosus Protein kinase C brain isozyme 0.0022 0.0056 0.0056
Echinococcus granulosus serine threonine protein kinase nrc 0.0042 0.0161 0.0161
Onchocerca volvulus 0.0125 0.0593 0.5
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0284 0.1414 0.1414
Entamoeba histolytica hypothetical protein 0.0367 0.1846 0.18
Trichomonas vaginalis PIKK family atypical protein kinase 0.1939 1 1
Trichomonas vaginalis AGC family protein kinase 0.0022 0.0056 0.0002
Echinococcus multilocularis 0.0125 0.0593 0.0593
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.065 0.3316 0.3316
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0035 0.0125 0.0072
Loa Loa (eye worm) AGC/PKN protein kinase 0.0022 0.0056 0.0056
Trichomonas vaginalis PIKK family atypical protein kinase 0.1939 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1259 0.6472 0.6453
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0125 0.0593 0.0451
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0125 0.0593 0.0439
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0037 0.0138 0.0138
Trichomonas vaginalis AGC family protein kinase 0.0067 0.0292 0.024
Leishmania major phosphatidylinositol 3-related kinase, putative 0.065 0.3316 0.2895
Brugia malayi Hr1 repeat family protein 0.0022 0.0056 0.0056
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0125 0.0593 0.0593
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0125 0.0593 0.0542
Schistosoma mansoni serine/threonine kinase 0.0022 0.0056 0.0056
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.065 0.3316 0.3115
Echinococcus multilocularis serine:threonine protein kinase N2 0.0022 0.0056 0.0056
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0125 0.0593 1
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0367 0.1846 0.18
Trichomonas vaginalis PIKK family atypical protein kinase 0.1047 0.5374 0.5349
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0125 0.0593 0.0542
Plasmodium vivax hypothetical protein 0.0125 0.0593 1
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0367 0.1846 0.1846
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0125 0.0593 0.0439
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0125 0.0593 0.0593
Loa Loa (eye worm) phosphatidylinositol 3 0.0125 0.0593 0.0593
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.1939 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0125 0.0593 0.0542
Loa Loa (eye worm) phosphatidylinositol 3 0.0125 0.0593 0.0593
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0917 0.47 0.454
Trichomonas vaginalis PIKK family atypical protein kinase 0.1543 0.7942 0.7931
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0035 0.0125 0.0072
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0125 0.0593 0.0593
Echinococcus granulosus NDR protein kinase 0.0022 0.0056 0.0056
Trichomonas vaginalis AGC family protein kinase 0.0022 0.0056 0.0002
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0125 0.0593 0.0593
Echinococcus granulosus protein kinase c iota type 0.0022 0.0056 0.0056
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.1544 0.7951 0.7822
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0022 0.0056 0.0056
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0125 0.0593 0.054
Trichomonas vaginalis AGC family protein kinase 0.0067 0.0292 0.024
Echinococcus granulosus protein kinase c epsilon type 0.0022 0.0056 0.0056
Entamoeba histolytica hypothetical protein 0.0125 0.0593 0.054
Loa Loa (eye worm) hypothetical protein 0.0125 0.0593 0.0593
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0046 0.0182 0.0022
Loa Loa (eye worm) phosphatidylinositol 3 0.0125 0.0593 0.0593
Schistosoma mansoni fkbp-rapamycin associated protein 0.0367 0.1846 0.1846
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0125 0.0593 0.0593
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0367 0.1846 0.1601
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0125 0.0593 0.0439
Trichomonas vaginalis PIKK family atypical protein kinase 0.1543 0.7942 0.7931
Trichomonas vaginalis PIKK family atypical protein kinase 0.065 0.3316 0.328
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0125 0.0593 0.0593
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0041 0.0159 0.0159
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0022 0.0056 0.0056
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0125 0.0593 0.0593
Brugia malayi protein kinase C II. 0.0022 0.0056 0.0056
Trichomonas vaginalis PIKK family atypical protein kinase 0.065 0.3316 0.328
Loa Loa (eye worm) phosphatidylinositol 3 0.065 0.3316 0.3316
Trichomonas vaginalis PIKK family atypical protein kinase 0.1543 0.7942 0.7931
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0125 0.0593 0.0593
Trichomonas vaginalis AGC family protein kinase 0.0067 0.0292 0.024
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.065 0.3316 0.3316
Trichomonas vaginalis PIKK family atypical protein kinase 0.1159 0.5953 0.5931
Loa Loa (eye worm) phosphatidylinositol 3 0.0125 0.0593 0.0593
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.1939 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0125 0.0593 0.0542
Loa Loa (eye worm) hypothetical protein 0.0125 0.0593 0.0593
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0022 0.0056 0.0056
Trichomonas vaginalis AGC family protein kinase 0.0067 0.0292 0.024
Loa Loa (eye worm) phosphatidylinositol 3 0.1939 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0041 0.0155 0.0155
Trypanosoma cruzi Protein kinase B 0.0046 0.0182 0.0022
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0037 0.0138 0.0138
Trypanosoma cruzi target of rapamycin kinase 3 0.1544 0.7951 0.7917
Trichomonas vaginalis PIKK family atypical protein kinase 0.0367 0.1846 0.1802
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0125 0.0593 0.0593
Trichomonas vaginalis conserved hypothetical protein 0.0242 0.1197 0.115
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0125 0.0593 0.0542
Plasmodium vivax hypothetical protein, conserved 0.0125 0.0593 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1939 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.065 0.3316 0.328
Trichomonas vaginalis PIKK family atypical protein kinase 0.0125 0.0593 0.0542
Toxoplasma gondii FATC domain-containing protein 0.0367 0.1846 0.2203
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0125 0.0593 0.0593
Trichomonas vaginalis PIKK family atypical protein kinase 0.1159 0.5953 0.5931
Trichomonas vaginalis PIKK family atypical protein kinase 0.1046 0.5366 0.5341
Trypanosoma brucei target of rapamycin kinase 3, putative 0.1544 0.7951 0.7889
Entamoeba histolytica PH domain containing protein kinase, putative 0.0046 0.0182 0.0127
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0125 0.0593 0.054
Trichomonas vaginalis PIKK family atypical protein kinase 0.0367 0.1846 0.1802
Loa Loa (eye worm) hypothetical protein 0.0022 0.0056 0.0056
Echinococcus multilocularis protein kinase c iota type 0.0022 0.0056 0.0056
Trichomonas vaginalis PIKK family atypical protein kinase 0.1442 0.7423 0.7409
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0125 0.0593 0.054
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0125 0.0593 0.0593
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0022 0.0056 0.0056
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0125 0.0593 0.0593
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0125 0.0593 1
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0125 0.0593 0.0593
Schistosoma mansoni serine/threonine protein kinase 0.0022 0.0056 0.0056
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.1939 1 1
Giardia lamblia GTOR 0.1939 1 1
Entamoeba histolytica protein kinase, putative 0.0063 0.027 0.0216
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.1939 1 1
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0125 0.0593 0.0451
Schistosoma mansoni serine/threonine protein kinase 0.0022 0.0056 0.0056
Brugia malayi Protein kinase domain containing protein 0.0022 0.0056 0.0056
Brugia malayi MH2 domain containing protein 0.0144 0.0691 0.0691
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.065 0.3316 0.3316
Entamoeba histolytica hypothetical protein 0.0125 0.0593 0.054
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0125 0.0593 1
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0125 0.0593 0.054
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0367 0.1846 0.1846
Brugia malayi p70 ribosomal S6 kinase beta 0.0063 0.027 0.027
Schistosoma mansoni serine/threonine protein kinase 0.0022 0.0056 0.0056
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0125 0.0593 0.0439
Schistosoma mansoni serine/threonine-protein kinase 0.0046 0.0182 0.0182
Giardia lamblia Phosphatidylinositol 4-kinase 0.0125 0.0593 0.0439
Loa Loa (eye worm) AGC/AKT protein kinase 0.0067 0.0292 0.0292
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0125 0.0593 0.054
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0041 0.0159 0.0159
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0125 0.0593 0.0593
Loa Loa (eye worm) hypothetical protein 0.0242 0.1197 0.1197
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.1939 1 1
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.065 0.3316 0.3115
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0037 0.0138 0.0138
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0125 0.0593 0.0542
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0125 0.0593 0.0593
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.1939 1 1
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0022 0.0056 0.0056
Brugia malayi Protein kinase domain containing protein 0.0022 0.0056 0.0056
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0125 0.0593 1
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0125 0.0593 1
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0806 0.4121 0.3944
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0125 0.0593 0.0439
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.065 0.3316 0.3207
Echinococcus multilocularis serine:threonine protein kinase N2 0.0022 0.0056 0.0056
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0125 0.0593 0.0542
Entamoeba histolytica protein kinase rad3, putative 0.0367 0.1846 0.18
Echinococcus multilocularis protein kinase c epsilon type 0.0022 0.0056 0.0056
Schistosoma mansoni atypical protein kinase C 0.0022 0.0056 0.0056
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0125 0.0593 0.0542
Loa Loa (eye worm) hypothetical protein 0.0395 0.1993 0.1993
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0022 0.0056 0.0056
Trichomonas vaginalis PIKK family atypical protein kinase 0.0242 0.1197 0.115
Schistosoma mansoni serine/threonine protein kinase 0.0022 0.0056 0.0056
Entamoeba histolytica protein kinase, putative 0.0067 0.0292 0.0237
Loa Loa (eye worm) phosphatidylinositol kinase 0.0125 0.0593 0.0593
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0022 0.0056 0.0056
Trichomonas vaginalis PIKK family atypical protein kinase 0.052 0.2642 0.2603
Trichomonas vaginalis PIKK family atypical protein kinase 0.1147 0.5893 0.5871
Trichomonas vaginalis AGC family protein kinase 0.0022 0.0056 0.0002
Echinococcus granulosus serine/threonine protein kinase 0.0046 0.0182 0.0182
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0125 0.0593 0.054
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0125 0.0593 0.0593
Trichomonas vaginalis PIKK family atypical protein kinase 0.1543 0.7942 0.7931
Loa Loa (eye worm) hypothetical protein 0.0284 0.1414 0.1414
Echinococcus multilocularis serine protein kinase ATM 0.0367 0.1846 0.1846
Trichomonas vaginalis PIKK family atypical protein kinase 0.1047 0.5374 0.5349
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0691 0.0691
Trichomonas vaginalis PIKK family atypical protein kinase 0.1442 0.7423 0.7409
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0125 0.0593 0.0593
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0125 0.0593 0.0542
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0125 0.0593 0.0451
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.1939 1 1
Onchocerca volvulus 0.0125 0.0593 0.5
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0125 0.0593 0.0542
Leishmania major phosphatidylinositol 3-kinase, putative 0.065 0.3316 0.2895
Trichomonas vaginalis PIKK family atypical protein kinase 0.1656 0.853 0.8522
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0125 0.0593 0.0451
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0125 0.0593 0.0593
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0125 0.0593 0.0593
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0042 0.0161 0.0161
Trichomonas vaginalis PIKK family atypical protein kinase 0.1159 0.5953 0.5931
Brugia malayi FAT domain containing protein 0.0284 0.1414 0.1414
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0242 0.1197 0.1053
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0125 0.0593 0.0593
Giardia lamblia Hypothetical protein 0.0125 0.0593 0.0439
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0125 0.0593 0.0542
Trichomonas vaginalis PIKK family atypical protein kinase 0.1147 0.5893 0.5871
Echinococcus multilocularis rac serine:threonine kinase 0.0046 0.0182 0.0182
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0125 0.0593 0.0593
Entamoeba histolytica protein kinase, putative 0.0067 0.0292 0.0237
Trichomonas vaginalis PIKK family atypical protein kinase 0.1046 0.5366 0.5341
Entamoeba histolytica protein kinase 2, putative 0.0042 0.0161 0.0106
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0691 0.0691
Loa Loa (eye worm) phosphatidylinositol 3 0.0125 0.0593 0.0593
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0367 0.1846 0.1712
Entamoeba histolytica hypothetical protein 0.0125 0.0593 0.054
Trichomonas vaginalis PIKK family atypical protein kinase 0.1047 0.5374 0.5349
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.1939 1 1
Trichomonas vaginalis AGC family protein kinase 0.0067 0.0292 0.024
Trichomonas vaginalis PIKK family atypical protein kinase 0.1442 0.7423 0.7409
Echinococcus granulosus nervana 2 0.0041 0.0159 0.0159
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0125 0.0593 0.0439
Echinococcus granulosus protein kinase C gamma type 0.0022 0.0056 0.0056
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0125 0.0593 0.0542
Mycobacterium leprae conserved hypothetical protein 0.0125 0.0593 0.5
Echinococcus granulosus nervana 2 0.0041 0.0159 0.0159
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0125 0.0593 0.031
Echinococcus multilocularis serine:threonine protein kinase 38 0.0022 0.0056 0.0056
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0125 0.0593 0.0593
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0022 0.0056 0.0056
Schistosoma mansoni hypothetical protein 0.0284 0.1414 0.1414
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.1939 1 1
Echinococcus granulosus serine protein kinase ATM 0.0367 0.1846 0.1846
Echinococcus multilocularis nervana 2 0.0041 0.0159 0.0159
Trichomonas vaginalis PIKK family atypical protein kinase 0.065 0.3316 0.328
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0125 0.0593 0.031
Trichomonas vaginalis PIKK family atypical protein kinase 0.0367 0.1846 0.1802
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.065 0.3316 0.3316
Echinococcus multilocularis nervana 2 0.0041 0.0159 0.0159
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.065 0.3316 0.3207
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0367 0.1846 0.1846
Echinococcus multilocularis serine threonine protein kinase 0.0022 0.0056 0.0056
Schistosoma mansoni serine/threonine protein kinase 0.0022 0.0056 0.0056
Trichomonas vaginalis AGC family protein kinase 0.0026 0.0077 0.0024
Schistosoma mansoni voltage-gated potassium channel 0.0041 0.0155 0.0155
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0125 0.0593 0.0439
Trichomonas vaginalis AGC family protein kinase 0.0067 0.0292 0.024
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0125 0.0593 0.0593
Schistosoma mansoni serine/threonine protein kinase 0.0022 0.0056 0.0056
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0409 0.2063 0.2506

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 6.3096 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] 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) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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