Detailed information for compound 844039

Basic information

Technical information
  • TDR Targets ID: 844039
  • Name: methyl 4-chloro-2-[(5-pyrrolidin-1-yl-1,3,4-t hiadiazol-2-yl)carbamoylamino]benzoate
  • MW: 381.837 | Formula: C15H16ClN5O3S
  • H donors: 2 H acceptors: 4 LogP: 3.24 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ccc(cc1NC(=O)Nc1nnc(s1)N1CCCC1)Cl
  • InChi: 1S/C15H16ClN5O3S/c1-24-12(22)10-5-4-9(16)8-11(10)17-13(23)18-14-19-20-15(25-14)21-6-2-3-7-21/h4-5,8H,2-3,6-7H2,1H3,(H2,17,18,19,23)
  • InChiKey: KTORLJYYVMOARZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-chloro-2-[[oxo-[(5-1-pyrrolidinyl-1,3,4-thiadiazol-2-yl)amino]methyl]amino]benzoic acid methyl ester
  • 4-chloro-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)carbamoylamino]benzoic acid methyl ester
  • E002-1371
  • NCGC00120163-01

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
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
Loa Loa (eye worm) transcription factor SMAD2 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
Trichomonas vaginalis PIKK family atypical protein kinase 0.0229 0.0298 0.0452
Echinococcus granulosus suppressor of cytokine signaling 7 0.0043 0.0002 0.0002
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.033 0.0459 0.0695
Trichomonas vaginalis PIKK family atypical protein kinase 0.012 0.0125 0.0188
Echinococcus granulosus tyrosine kinase 0.006 0.003 0.0029
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0655 0.0976 0.1478
Brugia malayi SH2 domain containing protein 0.0043 0.0002 0.0003
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0259 0.0347 0.1562
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.033 0.0459 0.2067
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.021 0.0269 0.0407
Echinococcus multilocularis tyrosine protein kinase Srms 0.0207 0.0263 0.0263
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0084 0.0068 0.0077
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.1436 0.2219 0.3362
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.419 0.6598 1
Loa Loa (eye worm) hypothetical protein 0.012 0.0125 0.0142
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0189 0.0236 0.0235
Entamoeba histolytica SH2 domain containing protein 0.0043 0.0002 0.0003
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0655 0.0976 0.1114
Brugia malayi Immunoglobulin I-set domain containing protein 0.0469 0.068 0.103
Schistosoma mansoni tensin-related 0.0043 0.0002 0.0002
Brugia malayi SH2 domain containing protein 0.0043 0.0002 0.0003
Echinococcus multilocularis tyrosine protein kinase HCK 0.0164 0.0196 0.0195
Loa Loa (eye worm) SH2 domain-containing protein 0.0043 0.0002 0.0002
Loa Loa (eye worm) phosphatidylinositol 3 0.5548 0.8757 1
Brugia malayi Tensin 0.0043 0.0002 0.0003
Loa Loa (eye worm) hypothetical protein 0.0044 0.0005 0.0005
Trichomonas vaginalis conserved hypothetical protein 0.012 0.0125 0.0188
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0043 0.0002 0.0003
Brugia malayi Spectrin alpha chain 0.0041 0 0.0000042968
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0043 0.0002 0.0002
Schistosoma mansoni tyrosine kinase 0.0161 0.019 0.019
Leishmania major phosphatidylinositol 3-related kinase, putative 0.047 0.0682 0.2629
Echinococcus granulosus epidermal growth factor receptor 0.0178 0.0218 0.0218
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.2139 0.3336 0.5057
Brugia malayi SH2 domain containing protein 0.0043 0.0002 0.0003
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0655 0.0976 0.1478
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.033 0.0459 0.0695
Trichomonas vaginalis conserved hypothetical protein 0.0351 0.0492 0.0745
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.4333 0.6824 0.6824
Echinococcus multilocularis epidermal growth factor receptor 0.0319 0.0441 0.0441
Brugia malayi Tyrosine-protein kinase abl-1 0.0422 0.0606 0.0918
Schistosoma mansoni tyrosine kinase 0.006 0.003 0.003
Loa Loa (eye worm) hypothetical protein 0.0043 0.0002 0.0002
Echinococcus granulosus serine protein kinase ATM 0.033 0.0459 0.0459
Trichomonas vaginalis PIKK family atypical protein kinase 0.0531 0.0778 0.1179
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0259 0.0347 0.0525
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0704 0.1054 1
Onchocerca volvulus 0.0414 0.0594 0.9382
Trichomonas vaginalis PIKK family atypical protein kinase 0.0531 0.0778 0.1179
Loa Loa (eye worm) hypothetical protein 0.0111 0.0111 0.0126
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0248 0.0329 0.0329
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.014 0.0158 0.0157
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0655 0.0976 0.1478
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.221 0.3449 1
Schistosoma mansoni tyrosine kinase 0.0248 0.0329 0.0329
Trichomonas vaginalis PIKK family atypical protein kinase 0.0512 0.0749 0.1134
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0248 0.0328 0.1477
Brugia malayi Tyrosine-protein kinase abl-1 0.0519 0.0759 0.115
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.021 0.0269 0.0268
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.047 0.0682 0.1033
Loa Loa (eye worm) hypothetical protein 0.0338 0.0473 0.0539
Brugia malayi SRC-1 0.0248 0.0329 0.0498
Loa Loa (eye worm) hypothetical protein 0.014 0.0158 0.0179
Echinococcus multilocularis growth factor receptor bound protein 2 0.0084 0.0068 0.0068
Echinococcus multilocularis SH2 motif 0.0043 0.0002 0.0002
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.021 0.0269 0.0407
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0248 0.0329 0.0329
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0117 0.012 0.012
Brugia malayi Protein kinase domain containing protein 0.006 0.003 0.0045
Loa Loa (eye worm) hypothetical protein 0.2635 0.4124 0.471
Echinococcus granulosus phosphatidylinositol 3 kinase regulatory subunit 0.0043 0.0002 0.0002
Brugia malayi MH2 domain containing protein 0.0144 0.0164 0.0248
Trichomonas vaginalis PIKK family atypical protein kinase 0.033 0.0459 0.0695
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0207 0.0263 0.0263
Loa Loa (eye worm) phosphatidylinositol 3 0.021 0.0269 0.0307
Echinococcus multilocularis NCK adaptor protein 0.0084 0.0068 0.0068
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.633 1 1
Brugia malayi FAT domain containing protein 0.014 0.0158 0.0238
Echinococcus multilocularis SHC transforming protein 3 0.0043 0.0002 0.0002
Loa Loa (eye worm) RhoGAP domain-containing protein 0.0043 0.0002 0.0002
Brugia malayi cytokine inducible SH2-containing protein 5 0.0043 0.0002 0.0003
Echinococcus granulosus NCK adaptor protein 0.0084 0.0068 0.0068
Trichomonas vaginalis PIKK family atypical protein kinase 0.047 0.0682 0.1033
Schistosoma mansoni GTPase activating protein 0.0043 0.0002 0.0002
Brugia malayi SH2 domain containing protein 0.0043 0.0002 0.0003
Loa Loa (eye worm) STAT protein 0.0043 0.0002 0.0002
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0043 0.0002 0.0002
Echinococcus multilocularis tyrosine protein kinase Abl 0.0422 0.0606 0.0606
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.2992 0.4692 0.7111
Onchocerca volvulus Tyrosine kinase homolog 0.0439 0.0633 1
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.1226 0.1884 0.2855
Echinococcus granulosus roundabout 2 0.0048 0.0011 0.0011
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0655 0.0976 0.0975
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.021 0.0269 0.0407
Echinococcus multilocularis serine protein kinase ATM 0.033 0.0459 0.0459
Leishmania major hypothetical protein, conserved 0.1672 0.2593 1
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0655 0.0976 0.0975
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0655 0.0976 0.925
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.012 0.0125 0.0188
Loa Loa (eye worm) hypothetical protein 0.0043 0.0002 0.0002
Schistosoma mansoni tyrosine kinase 0.0161 0.019 0.019
Trichomonas vaginalis PIKK family atypical protein kinase 0.033 0.0459 0.0695
Brugia malayi protein-tyrosine kinase 0.0207 0.0263 0.0398
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.047 0.0682 0.1033
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0655 0.0976 0.0975
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.1436 0.2219 0.3362
Loa Loa (eye worm) SRC-1 0.0248 0.0329 0.0376
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.021 0.0269 0.0407
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0164 0.0187
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.1436 0.2219 0.2219
Brugia malayi Furin-like cysteine rich region family protein 0.0319 0.0441 0.0668
Loa Loa (eye worm) hypothetical protein 0.1556 0.2408 0.275
Schistosoma mansoni tensin 0.0043 0.0002 0.0002
Echinococcus granulosus serine:threonine protein kinase SMG1 0.033 0.0459 0.0459
Entamoeba histolytica hypothetical protein 0.033 0.0459 0.0695
Entamoeba histolytica SH2-protein kinase domain containing protein 0.006 0.003 0.0045
Echinococcus granulosus tyrosine protein kinase Src64B 0.0248 0.0329 0.0329
Echinococcus multilocularis 0.0094 0.0084 0.0083
Schistosoma mansoni hypothetical protein 0.021 0.0269 0.0269
Echinococcus multilocularis tyrosine protein kinase Blk 0.0207 0.0263 0.0263
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.047 0.0682 0.0682
Echinococcus multilocularis SH2 motif 0.0043 0.0002 0.0002
Loa Loa (eye worm) TK protein kinase 0.0164 0.0196 0.0223
Loa Loa (eye worm) TK/FER protein kinase 0.006 0.003 0.0034
Trichomonas vaginalis PIKK family atypical protein kinase 0.0489 0.0712 0.1078
Echinococcus multilocularis ephrin type A receptor 4 A 0.0155 0.018 0.018
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0248 0.0329 0.0329
Loa Loa (eye worm) phosphatidylinositol 3 0.0531 0.0778 0.0889
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.419 0.6598 1
Echinococcus multilocularis SH2 domain containing protein 7 0.0043 0.0002 0.0002
Onchocerca volvulus 0.0043 0.0002 0.0027
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.021 0.0269 0.2462
Echinococcus granulosus SH2 motif 0.0043 0.0002 0.0002
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0531 0.0778 0.3001
Trichomonas vaginalis PIKK family atypical protein kinase 0.047 0.0682 0.1033
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0259 0.0347 0.0347
Echinococcus granulosus tyrosine protein kinase Fyn 0.0248 0.0329 0.0329
Echinococcus granulosus tyrosine protein kinase Fyn 0.0248 0.0329 0.0329
Brugia malayi Variant SH3 domain containing protein 0.0043 0.0002 0.0003
Trichomonas vaginalis PIKK family atypical protein kinase 0.0512 0.0749 0.1134
Loa Loa (eye worm) hypothetical protein 0.006 0.003 0.0034
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0531 0.0778 0.1179
Loa Loa (eye worm) TK/INSR protein kinase 0.0112 0.0113 0.0129
Echinococcus granulosus hypothetical protein 0.0043 0.0002 0.0002
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.419 0.6598 1
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.021 0.0269 0.0268
Echinococcus multilocularis tensin 0.0043 0.0002 0.0002
Brugia malayi Protein kinase domain containing protein 0.006 0.003 0.0045
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0043 0.0002 0.0002
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0248 0.0329 0.0329
Brugia malayi Variant SH3 domain containing protein 0.0043 0.0002 0.0003
Schistosoma mansoni tensin 0.0043 0.0002 0.0002
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0043 0.0002 0.0002
Leishmania major phosphatidylinositol kinase related protein, putative 0.021 0.0269 0.1035
Echinococcus granulosus SH2 motif 0.0043 0.0002 0.0002
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.1436 0.2219 0.3362
Entamoeba histolytica hypothetical protein 0.021 0.0269 0.0407
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.1436 0.2219 1
Onchocerca volvulus Suppressor of cytokine signaling 7 homolog 0.0043 0.0002 0.0027
Trichomonas vaginalis PIKK family atypical protein kinase 0.0507 0.0741 0.1123
Brugia malayi STAT protein, DNA binding domain containing protein 0.0043 0.0002 0.0003
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.047 0.0682 0.0682
Echinococcus granulosus tyrosine protein kinase Src42A 0.0189 0.0236 0.0235
Schistosoma mansoni suppressor of cytokine signaling 0.0043 0.0002 0.0002
Trichomonas vaginalis PIKK family atypical protein kinase 0.047 0.0682 0.1033
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.021 0.0269 0.0407
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0531 0.0778 0.0778
Loa Loa (eye worm) hypothetical protein 0.0043 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0351 0.0492 0.0561
Onchocerca volvulus 0.006 0.003 0.0465
Trichomonas vaginalis PIKK family atypical protein kinase 0.0489 0.0712 0.1078
Echinococcus granulosus tyrosine protein kinase Fps85D 0.006 0.003 0.0029
Trichomonas vaginalis PIKK family atypical protein kinase 0.0512 0.0749 0.1134
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1436 0.2219 0.3362
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0512 0.0749 0.2887
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0655 0.0976 0.1478
Loa Loa (eye worm) TK/FER protein kinase 0.006 0.003 0.0034
Echinococcus multilocularis tyrosine protein kinase shark 0.006 0.003 0.0029
Trichomonas vaginalis PIKK family atypical protein kinase 0.021 0.0269 0.0407
Schistosoma mansoni adapter molecule crk 0.0084 0.0068 0.0068
Schistosoma mansoni tyrosine kinase 0.0857 0.1297 0.1297
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.1853 0.2881 0.4367
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0248 0.0329 0.0329
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0248 0.0329 0.0329
Brugia malayi ephrin receptor 1 precursor 0.007 0.0045 0.0068
Echinococcus granulosus tyrosine protein kinase Lyn 0.0249 0.033 0.033
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0655 0.0976 0.0976
Echinococcus multilocularis phosphatidylinositol 3 kinase regulatory subunit 0.0043 0.0002 0.0002
Brugia malayi SH2 domain containing protein 0.006 0.003 0.0045
Schistosoma mansoni tensin-related 0.0043 0.0002 0.0002
Giardia lamblia GTOR 0.0531 0.0778 0.1602
Echinococcus multilocularis suppressor of cytokine signaling 7 0.0043 0.0002 0.0002
Toxoplasma gondii target of rapamycin (TOR), putative 0.0507 0.0741 0.7
Loa Loa (eye worm) hypothetical protein 0.0043 0.0002 0.0002
Trichomonas vaginalis PIKK family atypical protein kinase 0.047 0.0682 0.1033
Echinococcus multilocularis guanine nucleotide exchange factor VAV2 0.0043 0.0002 0.0002
Onchocerca volvulus 0.0043 0.0002 0.0027
Echinococcus granulosus signal transduction protein lnk realted 0.0043 0.0002 0.0002
Mycobacterium tuberculosis Conserved hypothetical protein 0.021 0.0269 0.5
Echinococcus granulosus tyrosine protein kinase HCK 0.0164 0.0196 0.0195
Schistosoma mansoni growth factor receptor-bound protein 0.0084 0.0068 0.0068
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.033 0.0459 0.0459
Echinococcus granulosus epidermal growth factor receptor 0.0319 0.0441 0.0441
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0178 0.0218 0.0218
Echinococcus multilocularis suppressor of cytokine signaling 6 0.0043 0.0002 0.0002
Loa Loa (eye worm) TK/FER protein kinase 0.006 0.003 0.0034
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0043 0.0003 0.0004
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0101 0.0096 0.0095
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.021 0.0269 0.0269
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0117 0.012 0.012
Echinococcus multilocularis insulin receptor 0.0112 0.0113 0.0113
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.021 0.0269 0.0407
Echinococcus granulosus tyrosine protein kinase shark 0.006 0.003 0.0029
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0992 0.1512 0.3908
Brugia malayi tRNA modification GTPase TrmE family protein 0.0043 0.0002 0.0003
Trichomonas vaginalis PIKK family atypical protein kinase 0.0531 0.0778 0.1179
Onchocerca volvulus 0.0043 0.0002 0.0027
Schistosoma mansoni tyrosine kinase 0.0101 0.0096 0.0096
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.047 0.0682 0.0682
Entamoeba histolytica hypothetical protein 0.021 0.0269 0.0407
Echinococcus granulosus c src tyrosine kinase 0.0101 0.0096 0.0095
Trichomonas vaginalis PIKK family atypical protein kinase 0.0507 0.0741 0.1123
Schistosoma mansoni tyrosine kinase 0.0178 0.0218 0.0218
Trichomonas vaginalis PIKK family atypical protein kinase 0.0489 0.0712 0.1078
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0531 0.0778 0.0778
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0101 0.0096 0.0096
Echinococcus granulosus insulin receptor 0.0112 0.0113 0.0113
Loa Loa (eye worm) hypothetical protein 0.0043 0.0002 0.0002
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0531 0.0778 0.3508
Schistosoma mansoni hypothetical protein 0.0043 0.0002 0.0002
Echinococcus multilocularis tyrosine kinase 0.006 0.003 0.0029
Brugia malayi RhoGAP domain containing protein 0.0043 0.0002 0.0003
Echinococcus granulosus SHC transforming protein 3 0.0043 0.0002 0.0002
Loa Loa (eye worm) SH2 domain-containing protein 0.0043 0.0002 0.0002
Trichomonas vaginalis PIKK family atypical protein kinase 0.0372 0.0526 0.0796
Schistosoma mansoni growth factor receptor-bound protein 0.0084 0.0068 0.0068
Echinococcus multilocularis SH2 motif 0.0043 0.0002 0.0002
Echinococcus granulosus SH2 domain containing adapter protein F 0.0043 0.0002 0.0002
Echinococcus multilocularis tensin 0.0043 0.0002 0.0002
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0248 0.0329 0.0329
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.021 0.0269 0.121
Entamoeba histolytica protein kinase rad3, putative 0.033 0.0459 0.0695
Trichomonas vaginalis PIKK family atypical protein kinase 0.033 0.0459 0.0695
Loa Loa (eye worm) hypothetical protein 0.0043 0.0002 0.0002
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.2992 0.4692 0.7111
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0655 0.0976 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0367 0.0518 0.0785
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0351 0.0492 0.4604
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.419 0.6598 1
Brugia malayi SH2 domain containing protein 0.0043 0.0002 0.0003
Leishmania major phosphatidylinositol 4-kinase, putative 0.0259 0.0347 0.1337
Onchocerca volvulus 0.006 0.003 0.0465
Leishmania major phosphatidylinositol 3-kinase, putative 0.047 0.0682 0.2629
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.033 0.0459 0.0459
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0043 0.0002 0.0002
Schistosoma mansoni SH2A 0.0043 0.0002 0.0002
Echinococcus granulosus tyrosine protein kinase ABL1 0.0899 0.1365 0.1364
Trypanosoma cruzi hypothetical protein, conserved 0.1461 0.2258 0.3423
Trichomonas vaginalis PIKK family atypical protein kinase 0.0493 0.0719 0.1089
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0531 0.0778 0.3001
Brugia malayi Sex muscle abnormal protein 5 0.0084 0.0068 0.0102
Loa Loa (eye worm) cytokine inducible SH2-containing protein 5 0.0043 0.0002 0.0002
Trichomonas vaginalis PIKK family atypical protein kinase 0.0512 0.0749 0.1134
Toxoplasma gondii FATC domain-containing protein 0.033 0.0459 0.4288
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.2635 0.4124 0.4124
Echinococcus granulosus SH2 domain containing protein 7 0.0043 0.0002 0.0002
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.021 0.0269 0.0269
Echinococcus multilocularis roundabout 2 0.0048 0.0011 0.0011
Loa Loa (eye worm) TK/FER protein kinase 0.006 0.003 0.0034
Echinococcus multilocularis SH2 domain containing adapter protein F 0.0043 0.0002 0.0002
Trichomonas vaginalis conserved hypothetical protein 0.014 0.0158 0.0238
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.021 0.0269 0.0407
Leishmania major hypothetical protein, unknown function 0.021 0.0269 0.1035
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0469 0.068 0.0776
Loa Loa (eye worm) hypothetical protein 0.0043 0.0002 0.0002
Trichomonas vaginalis PIKK family atypical protein kinase 0.0489 0.0712 0.1078
Echinococcus multilocularis epidermal growth factor receptor 0.0178 0.0218 0.0218
Onchocerca volvulus 0.0042 0.0001 0.0015
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0248 0.0329 0.0329
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.1436 0.2219 0.3362
Echinococcus granulosus tyrosine kinase 0.0207 0.0263 0.0263
Brugia malayi Variant SH3 domain containing protein 0.0084 0.0068 0.0102
Loa Loa (eye worm) hypothetical protein 0.021 0.0269 0.0307
Entamoeba histolytica hypothetical protein 0.3409 0.5355 0.8116
Brugia malayi Protein kinase domain containing protein 0.006 0.003 0.0045
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0899 0.1365 0.1364
Trichomonas vaginalis PIKK family atypical protein kinase 0.0489 0.0712 0.1078
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0512 0.0749 0.3374
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.047 0.0682 0.3073
Trichomonas vaginalis PIKK family atypical protein kinase 0.0489 0.0712 0.1078
Mycobacterium leprae conserved hypothetical protein 0.021 0.0269 0.5
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0655 0.0976 0.1478
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.021 0.0269 0.0268
Onchocerca volvulus 0.021 0.0269 0.4246
Loa Loa (eye worm) phosphatidylinositol 3 0.0259 0.0347 0.0396
Loa Loa (eye worm) TK/ABL protein kinase 0.0899 0.1365 0.1558
Trichomonas vaginalis PIKK family atypical protein kinase 0.0393 0.0559 0.0846
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.047 0.0682 0.3073
Echinococcus multilocularis 0.0043 0.0002 0.0002
Brugia malayi Protein kinase domain containing protein 0.006 0.003 0.0045
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0084 0.0068 0.0068
Trichomonas vaginalis PIKK family atypical protein kinase 0.0507 0.0741 0.1123
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.033 0.0459 0.0695
Onchocerca volvulus 0.0043 0.0002 0.0027
Loa Loa (eye worm) phosphatidylinositol 3 0.1226 0.1884 0.2151
Trichomonas vaginalis PIKK family atypical protein kinase 0.0507 0.0741 0.1123
Schistosoma mansoni tyrosine-protein kinase zap-70 0.0043 0.0002 0.0002
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0531 0.0778 0.1179
Schistosoma mansoni hypothetical protein 0.014 0.0158 0.0158
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0043 0.0002 0.0002
Onchocerca volvulus 0.0043 0.0002 0.0027
Onchocerca volvulus 0.006 0.003 0.0465
Loa Loa (eye worm) phosphatidylinositol 3 0.021 0.0269 0.0307
Trichomonas vaginalis PIKK family atypical protein kinase 0.047 0.0682 0.1033
Loa Loa (eye worm) TK/EGFR protein kinase 0.0319 0.0441 0.0503
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0207 0.0263 0.0263
Schistosoma mansoni tyrosine kinase 0.0178 0.0218 0.0218
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.014 0.0158 0.0157
Entamoeba histolytica protein kinase, putative 0.0164 0.0196 0.0296
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0531 0.0778 0.1179
Leishmania major phosphatidylinositol 3-kinase, putative 0.0655 0.0976 0.3762
Loa Loa (eye worm) hypothetical protein 0.0043 0.0002 0.0002
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.021 0.0269 0.0268
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0655 0.0976 0.0976
Onchocerca volvulus 0.006 0.003 0.0465
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0531 0.0778 0.1179
Echinococcus granulosus tyrosine protein kinase Fyn 0.0248 0.0329 0.0329
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0655 0.0976 0.1478
Leishmania major phosphatidylinositol kinase, putative 0.021 0.0269 0.1035
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0531 0.0778 0.0778
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.4333 0.6824 0.6824
Echinococcus multilocularis N chimaerin 0.0043 0.0002 0.0002
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0043 0.0002 0.0002
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0084 0.0068 0.0077
Schistosoma mansoni vav2 0.0043 0.0002 0.0002
Trichomonas vaginalis PIKK family atypical protein kinase 0.0507 0.0741 0.1123
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0101 0.0096 0.0095
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0259 0.0347 0.0525
Loa Loa (eye worm) TK/FER protein kinase 0.006 0.003 0.0034
Echinococcus granulosus expressed conserved protein 0.0043 0.0002 0.0002
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0655 0.0976 0.1478
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.1436 0.2219 0.3362
Schistosoma mansoni tyrosine kinase 0.0319 0.0441 0.0441
Trichomonas vaginalis PIKK family atypical protein kinase 0.0512 0.0749 0.1134
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0369 0.0522 0.235
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0655 0.0976 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.3409 0.5355 0.8116
Trichomonas vaginalis PIKK family atypical protein kinase 0.0367 0.0518 0.0785
Echinococcus multilocularis 0.0259 0.0347 0.0347
Loa Loa (eye worm) TK/FER protein kinase 0.006 0.003 0.0034
Onchocerca volvulus 0.006 0.003 0.0465
Loa Loa (eye worm) hypothetical protein 0.0043 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0044 0.0005 0.0005
Schistosoma mansoni tyrosine kinase 0.006 0.003 0.003
Trichomonas vaginalis PIKK family atypical protein kinase 0.0507 0.0741 0.1123
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0259 0.0347 0.0525
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0531 0.0778 0.3508
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.2635 0.4124 0.4124
Onchocerca volvulus 0.0043 0.0002 0.0027
Loa Loa (eye worm) TK/FER protein kinase 0.006 0.003 0.0034
Echinococcus granulosus tyrosine protein kinase Blk 0.0207 0.0263 0.0263
Trichomonas vaginalis PIKK family atypical protein kinase 0.021 0.0269 0.0407
Brugia malayi hypothetical protein 0.0043 0.0002 0.0003
Schistosoma mansoni hypothetical protein 0.0043 0.0002 0.0002
Loa Loa (eye worm) TK/FER protein kinase 0.006 0.003 0.0034
Echinococcus multilocularis tyrosine protein kinase Fps85D 0.006 0.003 0.0029
Loa Loa (eye worm) hypothetical protein 0.0056 0.0024 0.0027
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.021 0.0269 0.2462
Schistosoma mansoni protein tyrosine phosphatase n11 (shp2) 0.0043 0.0002 0.0002
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.419 0.6598 1
Schistosoma mansoni tyrosine kinase 0.0101 0.0096 0.0096
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.398 0.6264 0.9493
Echinococcus multilocularis Spectrin alpha actinin 0.0041 0 0.000002835
Schistosoma mansoni fkbp-rapamycin associated protein 0.033 0.0459 0.0459
Loa Loa (eye worm) phosphatidylinositol 3 0.047 0.0682 0.0778
Brugia malayi SH2 domain containing protein 0.0043 0.0002 0.0003
Schistosoma mansoni serine/threonine protein kinase 0.0059 0.0028 0.0028
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.047 0.0682 0.1033
Echinococcus granulosus suppressor of cytokine signaling 6 0.0043 0.0002 0.0002
Schistosoma mansoni tyrosine kinase 0.0161 0.019 0.019
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0259 0.0347 0.0347
Entamoeba histolytica hypothetical protein 0.021 0.0269 0.0407
Echinococcus granulosus N chimaerin 0.0043 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0043 0.0002 0.0002
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.1436 0.2219 0.3362
Schistosoma mansoni tensin 0.0043 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0043 0.0002 0.0002
Loa Loa (eye worm) TK/FER protein kinase 0.006 0.003 0.0034
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0164 0.0187
Echinococcus granulosus ephrin type A receptor 4 A 0.0155 0.018 0.018
Trypanosoma cruzi target of rapamycin kinase 3 0.0512 0.0749 0.1134
Brugia malayi SH2 domain containing protein 0.0043 0.0002 0.0003
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0248 0.0329 0.0329
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.021 0.0269 0.0407
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.2635 0.4124 0.6251
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0248 0.0329 0.0329
Echinococcus granulosus tensin C1 domain containing phosphatase 0.0043 0.0002 0.0002
Loa Loa (eye worm) phosphatidylinositol kinase 0.021 0.0269 0.0307
Trichomonas vaginalis PIKK family atypical protein kinase 0.0489 0.0712 0.1078
Loa Loa (eye worm) hypothetical protein 0.0043 0.0002 0.0002
Loa Loa (eye worm) phosphatidylinositol 3 0.021 0.0269 0.0307
Echinococcus multilocularis c src tyrosine kinase 0.0101 0.0096 0.0095
Schistosoma mansoni shc transforming protein 0.0043 0.0002 0.0002
Echinococcus multilocularis suppressor of cytokine signaling 7 0.0043 0.0002 0.0002
Schistosoma mansoni suppressor of cytokine signaling 0.0043 0.0002 0.0002
Brugia malayi SH2 domain containing protein 0.006 0.003 0.0045
Loa Loa (eye worm) hypothetical protein 0.033 0.0459 0.0524
Brugia malayi Protein kinase domain containing protein 0.0112 0.0113 0.0171
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.021 0.0269 0.2462
Onchocerca volvulus 0.006 0.003 0.0465
Onchocerca volvulus Suppressor of cytokine signaling at 36E homolog 0.0043 0.0002 0.0027
Echinococcus granulosus tyrosine protein kinase Src42A 0.0248 0.0329 0.0329
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0531 0.0778 0.1179
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0248 0.0329 0.0329
Echinococcus multilocularis signal transduction protein lnk realted 0.0043 0.0002 0.0002
Schistosoma mansoni tyrosine kinase 0.0248 0.0329 0.0329
Loa Loa (eye worm) hypothetical protein 0.0084 0.0068 0.0077
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0655 0.0976 0.3762
Echinococcus granulosus tyrosine protein kinase Srms 0.006 0.003 0.0029
Echinococcus granulosus tensin 0.0043 0.0002 0.0002
Trichomonas vaginalis PIKK family atypical protein kinase 0.0493 0.0719 0.1089
Echinococcus granulosus guanine nucleotide exchange factor VAV2 0.0043 0.0002 0.0002
Schistosoma mansoni tyrosine kinase 0.0112 0.0113 0.0113
Onchocerca volvulus 0.0111 0.0111 0.1744
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0259 0.0347 0.1105
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.419 0.6598 1
Echinococcus granulosus Spectrin alpha actinin 0.0041 0 0.000002835
Loa Loa (eye worm) TK/EPH protein kinase 0.0159 0.0187 0.0213
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0655 0.0976 0.4396
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.033 0.0459 0.0695
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0655 0.0976 0.1478
Giardia lamblia Phosphatidylinositol 4-kinase 0.0259 0.0347 0.0245
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.033 0.0459 0.0695
Schistosoma mansoni ephrin receptor 0.0128 0.0138 0.0138
Schistosoma mansoni tyrosine kinase 0.0112 0.0113 0.0113
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.633 1 1
Entamoeba histolytica protein kinase, putative 0.0043 0.0003 0.0004
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0043 0.0002 0.0002
Trichomonas vaginalis PIKK family atypical protein kinase 0.039 0.0555 0.0841
Trichomonas vaginalis PIKK family atypical protein kinase 0.0367 0.0518 0.0785
Echinococcus multilocularis Zinc finger, PHD finger 0.0655 0.0976 0.0975
Brugia malayi Variant SH3 domain containing protein 0.0084 0.0068 0.0102
Loa Loa (eye worm) TK protein kinase 0.0207 0.0263 0.03
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.419 0.6598 1
Brugia malayi hypothetical protein 0.006 0.003 0.0045
Loa Loa (eye worm) SH2 domain-containing protein 0.0043 0.0002 0.0002
Trichomonas vaginalis PIKK family atypical protein kinase 0.0507 0.0741 0.1123
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0259 0.0347 0.1105
Loa Loa (eye worm) TK/FER protein kinase 0.006 0.003 0.0034
Loa Loa (eye worm) hypothetical protein 0.0043 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0043 0.0002 0.0002
Onchocerca volvulus 0.021 0.0269 0.4246
Schistosoma mansoni nck2/grb4 0.0084 0.0068 0.0068
Brugia malayi Protein kinase domain containing protein 0.006 0.003 0.0045
Echinococcus granulosus growth factor receptor bound protein 2 0.0084 0.0068 0.0068
Schistosoma mansoni signal transduction protein lnk-related 0.0043 0.0002 0.0002

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) 22.3872 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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