Detailed information for compound 1125821

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 731.067 | Formula: C22H25Br4N3O5
  • H donors: 2 H acceptors: 1 LogP: 4.6 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: CNCCc1cc(Br)c(c(c1)Br)OCCCNC(=O)C1=NO[C@@]2(C1)OC=C(C(=C(C2)Br)OC)Br
  • InChi: 1S/C22H25Br4N3O5/c1-27-6-4-13-8-14(23)20(15(24)9-13)32-7-3-5-28-21(30)18-11-22(34-29-18)10-16(25)19(31-2)17(26)12-33-22/h8-9,12,27H,3-7,10-11H2,1-2H3,(H,28,30)/t22-/m0/s1
  • InChiKey: SVQWCRXJQYHZEQ-QFIPXVFZSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis PIKK family atypical protein kinase 0.0443 0.5254 0.5136
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0053 0.0443 0.0321
Loa Loa (eye worm) hypothetical protein 0.01 0.1029 0.1026
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0155 0.1706 0.1332
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0821 0.9926 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0611 0.7328 0.7296
Entamoeba histolytica hypothetical protein 0.0053 0.0443 0.0361
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0088 0.1978
Schistosoma mansoni jumonji/arid domain-containing protein 0.006 0.053 0.0409
Echinococcus granulosus sterol regulatory element binding protein 0.0043 0.0321 0.0196
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0053 0.0443 0.0127
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0053 0.0443 0.0361
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0053 0.0443 0.0361
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0155 0.1706 0.1645
Loa Loa (eye worm) hypothetical protein 0.0028 0.0129 0.0118
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0053 0.0443 0.0127
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0053 0.0443 0.0361
Trichomonas vaginalis PIKK family atypical protein kinase 0.0653 0.7852 0.7841
Mycobacterium ulcerans hypothetical protein 0.0024 0.0088 1
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.01 0.1029 0.0957
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0053 0.0443 0.0319
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0155 0.1706 0.161
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0053 0.0443 1
Schistosoma mansoni hypothetical protein 0.012 0.1271 0.1166
Brugia malayi FAT domain containing protein 0.012 0.1271 0.1203
Trichomonas vaginalis PIKK family atypical protein kinase 0.0491 0.5846 0.5752
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0053 0.0443 0.0319
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0654 0.786 0.7822
Echinococcus granulosus expressed conserved protein 0.0094 0.0954 0.0842
Schistosoma mansoni hypothetical protein 0.0042 0.0302 0.0177
Leishmania major hypothetical protein, conserved 0.0053 0.0443 0.0361
Entamoeba histolytica hypothetical protein 0.0053 0.0443 0.0361
Trichomonas vaginalis PIKK family atypical protein kinase 0.0486 0.5786 0.569
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0365 0.0241
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0053 0.0443 0.0319
Brugia malayi intermediate filament protein 0.0028 0.0129 0.0042
Brugia malayi jmjC domain containing protein 0.006 0.053 0.0449
Trichomonas vaginalis PIKK family atypical protein kinase 0.0102 0.1052 0.0761
Echinococcus multilocularis protein dispatched 1 0.0049 0.0396 0.0271
Trichomonas vaginalis PIKK family atypical protein kinase 0.0443 0.5262 0.5145
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0275 0.3188 0.3152
Trichomonas vaginalis PIKK family atypical protein kinase 0.0491 0.5846 0.5752
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0275 0.3188 0.2895
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0275 0.3188 0.3123
Onchocerca volvulus 0.0028 0.0129 0.1155
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0365 0.0239
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0053 0.0443 0.0127
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0821 0.9926 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0155 0.1706 0.1442
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0012 0.0275
Loa Loa (eye worm) phosphatidylinositol 3 0.0053 0.0443 0.0435
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0053 0.0443 0.0321
Mycobacterium leprae conserved hypothetical protein 0.0053 0.0443 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0365 0.0356
Echinococcus multilocularis lysine specific demethylase 5A 0.006 0.053 0.0406
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0088 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0088 1
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0821 0.9926 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0053 0.0443 0.0127
Loa Loa (eye worm) hypothetical protein 0.0024 0.0088 0.0076
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0173 0.1925 0.2153
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0053 0.0443 0.0361
Echinococcus multilocularis 0.0053 0.0443 0.0319
Loa Loa (eye worm) phosphatidylinositol 3 0.0275 0.3188 0.3204
Loa Loa (eye worm) hypothetical protein 0.0027 0.0122 0.0111
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0053 0.0443 0.0127
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0275 0.3188 0.3123
Trichomonas vaginalis conserved hypothetical protein 0.012 0.1271 0.0989
Entamoeba histolytica hypothetical protein 0.0155 0.1706 0.1645
Trichomonas vaginalis PIKK family atypical protein kinase 0.0653 0.7852 0.7841
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0053 0.0443 1
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0129 0.0042
Trichomonas vaginalis PIKK family atypical protein kinase 0.0275 0.3188 0.2985
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0821 0.9926 1
Entamoeba histolytica protein kinase rad3, putative 0.0155 0.1706 0.1645
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0053 0.0443 0.0361
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0275 0.3188 0.2895
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.012 0.1271 0.1157
Trichomonas vaginalis PIKK family atypical protein kinase 0.0551 0.6588 0.6525
Trichomonas vaginalis conserved hypothetical protein 0.0102 0.1052 0.0761
Loa Loa (eye worm) hypothetical protein 0.0173 0.1925 0.193
Loa Loa (eye worm) hypothetical protein 0.0024 0.0088 0.0076
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0365 0.0241
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0053 0.0443 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0088 0.1978
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0053 0.0443 1
Echinococcus granulosus lysine specific demethylase 5A 0.006 0.053 0.0409
Trichomonas vaginalis PIKK family atypical protein kinase 0.0275 0.3188 0.2985
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0365 0.0239
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0053 0.0443 0.0127
Trichomonas vaginalis PIKK family atypical protein kinase 0.0491 0.5846 0.5752
Onchocerca volvulus 0.0053 0.0443 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0275 0.3188 0.2985
Echinococcus multilocularis sterol regulatory element binding protein 0.0043 0.0321 0.0195
Loa Loa (eye worm) hypothetical protein 0.0053 0.0441 0.0432
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0821 0.9926 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0088 1
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0275 0.3188 0.2895
Echinococcus multilocularis Zinc finger, PHD finger 0.0053 0.0443 0.0319
Echinococcus granulosus serine protein kinase ATM 0.0155 0.1706 0.161
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0821 0.9926 1
Plasmodium vivax hypothetical protein 0.0053 0.0443 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0653 0.7852 0.7841
Trichomonas vaginalis PIKK family atypical protein kinase 0.0053 0.0443 0.0127
Trichomonas vaginalis PIKK family atypical protein kinase 0.0443 0.5262 0.5145
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.006 0.053 0.0409
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0053 0.0443 0.0361
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0088 1
Brugia malayi jmjC domain containing protein 0.006 0.053 0.0449
Loa Loa (eye worm) phosphatidylinositol 3 0.0053 0.0443 0.0435
Trichomonas vaginalis PIKK family atypical protein kinase 0.0275 0.3188 0.2985
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0821 0.9926 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0053 0.0443 0.0127
Plasmodium vivax hypothetical protein, conserved 0.0053 0.0443 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0053 0.0443 0.0127
Schistosoma mansoni hypothetical protein 0.0042 0.0302 0.0177
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0053 0.0443 0.0361
Loa Loa (eye worm) phosphatidylinositol 3 0.0821 0.9926 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0053 0.0443 0.0361
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0155 0.1706 0.1645
Trichomonas vaginalis PIKK family atypical protein kinase 0.0275 0.3188 0.2985
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0053 0.0443 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0053 0.0443 1
Loa Loa (eye worm) phosphatidylinositol kinase 0.0053 0.0443 0.0435
Schistosoma mansoni fkbp-rapamycin associated protein 0.0155 0.1706 0.161
Trypanosoma cruzi target of rapamycin kinase 3 0.0654 0.786 0.7822
Trichomonas vaginalis PIKK family atypical protein kinase 0.0443 0.5262 0.5145
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0155 0.1706 0.1598
Toxoplasma gondii FATC domain-containing protein 0.0155 0.1706 0.1835
Leishmania major hypothetical protein, unknown function 0.0053 0.0443 0.0361
Leishmania major phosphatidylinositol 3-kinase, putative 0.0053 0.0443 0.0361
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0053 0.0443 0.0321
Trichomonas vaginalis PIKK family atypical protein kinase 0.0821 0.9926 1
Onchocerca volvulus 0.0053 0.0443 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0053 0.0443 0.0435
Trichomonas vaginalis PIKK family atypical protein kinase 0.0486 0.5786 0.569
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0102 0.1052 0.0642
Trichomonas vaginalis PIKK family atypical protein kinase 0.0611 0.7328 0.7296
Trichomonas vaginalis PIKK family atypical protein kinase 0.0611 0.7328 0.7296
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0155 0.1706 0.1645
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0365 0.0241
Loa Loa (eye worm) hypothetical protein 0.0053 0.0443 0.0435
Loa Loa (eye worm) hypothetical protein 0.0053 0.0443 0.0435
Brugia malayi Niemann-Pick C1 protein precursor 0.01 0.1029 0.0957
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0155 0.1706 0.1332
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0088 1
Echinococcus granulosus Niemann Pick C1 protein 0.01 0.1029 0.0919
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0365 0.0282
Entamoeba histolytica hypothetical protein 0.0053 0.0443 0.0361
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0053 0.0443 0.0319
Echinococcus granulosus Protein patched homolog 1 0.0043 0.0321 0.0196
Brugia malayi CHE-14 protein 0.0043 0.0321 0.0237
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.053 0.0522
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0053 0.0443 0.0321
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0053 0.0443 0.0361
Trichomonas vaginalis PIKK family atypical protein kinase 0.0443 0.5262 0.5145
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0821 0.9926 0.9925
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0053 0.0443 0.0361
Trichomonas vaginalis PIKK family atypical protein kinase 0.0443 0.5254 0.5136
Trichomonas vaginalis PIKK family atypical protein kinase 0.0653 0.7852 0.7841
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0365 0.0241
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0053 0.0443 0.0361
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0102 0.1048 0.0938
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0275 0.3188 0.2895
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0053 0.0443 0.0321
Leishmania major phosphatidylinositol 3-kinase, putative 0.0275 0.3188 0.3152
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0155 0.1706 0.1332
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0053 0.0443 0.0321
Trichomonas vaginalis PIKK family atypical protein kinase 0.0155 0.1706 0.1442
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0053 0.0443 0.0361
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0053 0.0443 0.0321
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0053 0.0443 0.0127
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0053 0.0443 0.0435
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0821 0.9926 1
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0388 0.4583 0.4366
Schistosoma mansoni jumonji domain containing protein 0.006 0.053 0.0409
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0053 0.0443 0.0361
Schistosoma mansoni hypothetical protein 0.0042 0.0302 0.0177
Loa Loa (eye worm) hypothetical protein 0.012 0.1271 0.127
Loa Loa (eye worm) phosphatidylinositol 3 0.0053 0.0443 0.0435
Loa Loa (eye worm) hypothetical protein 0.0167 0.1855 0.1859
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0275 0.3188 0.3152
Schistosoma mansoni hypothetical protein 0.0042 0.0302 0.0177
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0053 0.0443 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0129 0.0118
Loa Loa (eye worm) hypothetical protein 0.0102 0.1052 0.1049
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0053 0.0443 0.0127
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0053 0.0443 0.0321
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0821 0.9926 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0088 0.0076
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0275 0.3188 0.31
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0088 1
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0053 0.0443 0.0321
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0053 0.0443 0.0127
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0053 0.0443 0.0319
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0341 0.3999 0.375
Loa Loa (eye worm) phosphatidylinositol 3 0.0053 0.0443 0.0435
Trichomonas vaginalis PIKK family atypical protein kinase 0.0653 0.7852 0.7841
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0155 0.1706 0.161
Schistosoma mansoni hypothetical protein 0.0053 0.0443 0.0321
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0053 0.0443 0.0127
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0821 0.9926 1
Leishmania major phosphatidylinositol 4-kinase, putative 0.0053 0.0443 0.0361
Trichomonas vaginalis PIKK family atypical protein kinase 0.0443 0.5254 0.5136
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0053 0.0443 0.0321
Trichomonas vaginalis PIKK family atypical protein kinase 0.0611 0.7328 0.7296
Trichomonas vaginalis PIKK family atypical protein kinase 0.0533 0.6369 0.6297
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0053 0.0443 0.0321
Trichomonas vaginalis PIKK family atypical protein kinase 0.0611 0.7328 0.7296
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0053 0.0443 0.0321
Echinococcus multilocularis protein patched 0.0043 0.0321 0.0195
Onchocerca volvulus 0.0028 0.0129 0.1155
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0088 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.022 0.2509 0.2278
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0654 0.786 0.79
Trichomonas vaginalis PIKK family atypical protein kinase 0.0821 0.9926 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0012 0.5
Loa Loa (eye worm) hypothetical protein 0.0155 0.1706 0.1709
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0053 0.0443 0.0127
Echinococcus multilocularis Niemann Pick C1 protein 0.01 0.1029 0.0912
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.012 0.1271 0.1166
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0053 0.0443 0.0361
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0129 0.0118
Entamoeba histolytica hypothetical protein 0.0053 0.0443 0.0361
Schistosoma mansoni jumonji/arid domain-containing protein 0.006 0.053 0.0409
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.006 0.053 0.0406
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0053 0.0443 0.0319
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0053 0.0443 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0321 0.0312
Leishmania major phosphatidylinositol kinase related protein, putative 0.0053 0.0443 0.0361
Trichomonas vaginalis PIKK family atypical protein kinase 0.0821 0.9926 1
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0821 0.9926 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0144 0.1561 0.1451
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0053 0.0443 0.0321
Giardia lamblia GTOR 0.0821 0.9926 1
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0043 0.0321 0.0312
Trichomonas vaginalis conserved hypothetical protein 0.0173 0.1925 0.167
Echinococcus multilocularis serine protein kinase ATM 0.0155 0.1706 0.1598
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0053 0.0443 0.0127
Leishmania major phosphatidylinositol kinase, putative 0.0053 0.0443 0.0361
Echinococcus multilocularis expressed conserved protein 0.0094 0.0954 0.0836
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0053 0.0443 0.0321
Trichomonas vaginalis PIKK family atypical protein kinase 0.0701 0.8443 0.8457
Echinococcus granulosus Niemann Pick C1 protein 0.0144 0.1561 0.1462
Schistosoma mansoni patched 1 0.0043 0.0321 0.0196
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0365 0.0241
Trichomonas vaginalis PIKK family atypical protein kinase 0.0155 0.1706 0.1442
Toxoplasma gondii target of rapamycin (TOR), putative 0.0611 0.7328 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0611 0.7328 0.7296
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0053 0.0443 0.0361
Trichomonas vaginalis PIKK family atypical protein kinase 0.0611 0.7328 0.7296
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0053 0.0443 0.0361
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0053 0.0443 0.0321

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.87 uM Antiplasmodial activity against chloroquine-susceptible Plasmodium falciparum 3D7 after 72 hrs by fluorescence assay ChEMBL. 20462236
IC50 (functional) = 1.4 uM Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum Dd2 after 72 hrs by fluorescence assay ChEMBL. 20462236
IC50 (ADMET) = 11 uM Cytotoxicity against human HEK293 cells after 72 hrs by Alamar blue assay ChEMBL. 20462236

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 20462236
Plasmodium falciparum ChEMBL23 20462236

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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