Detailed information for compound 278729

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 475.147 | Formula: C14H23I2NO
  • H donors: 1 H acceptors: 1 LogP: 4.6 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Ic1cc(cc(c1O)C[N+](C)(C)C)C(C)(C)C.[I-]
  • InChi: 1S/C14H22INO.HI/c1-14(2,3)11-7-10(9-16(4,5)6)13(17)12(15)8-11;/h7-8H,9H2,1-6H3;1H
  • InChiKey: YXDJDOFPHVQWSI-UHFFFAOYSA-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
Mycobacterium ulcerans chorismate synthase 0.0795 0.3231 0.5904
Chlamydia trachomatis protoporphyrinogen oxidase 0.0092 0.0237 0.0558
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0081 0.0188 0.0255
Loa Loa (eye worm) hypothetical protein 0.0124 0.0374 0.0374
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0049 0.0052 0.007
Brugia malayi EGF-like domain containing protein 0.0077 0.0171 0.0171
Echinococcus multilocularis adam 0.0077 0.0171 0.0233
Schistosoma mansoni integrin alpha 0.1164 0.4802 0.8245
Plasmodium vivax hypothetical protein, conserved 0.0092 0.0237 0.073
Toxoplasma gondii ABC1 family protein 0.0117 0.0343 0.1057
Echinococcus multilocularis protoporphyrinogen oxidase 0.0092 0.0237 0.0322
Trichomonas vaginalis penicillin-binding protein, putative 0.0117 0.0343 1
Mycobacterium leprae conserved hypothetical protein 0.0117 0.0343 0.0826
Mycobacterium ulcerans hypothetical protein 0.0117 0.0343 0.0526
Giardia lamblia Neurogenic locus notch-like protein 0.0077 0.0171 0.9139
Brugia malayi Protein kinase domain containing protein 0.0037 0.0002 0.0002
Echinococcus granulosus apoptotic protease activating factor 1 0.0095 0.0248 0.0336
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0142 0.0451 0.0451
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0092 0.0237 0.073
Echinococcus multilocularis glutamate receptor 2 0.0049 0.0052 0.007
Giardia lamblia Kinase, CMGC GSK 0.0081 0.0188 1
Trypanosoma cruzi cdc2-related kinase 1 0.0037 0.0002 0.005
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0117 0.0343 0.0343
Loa Loa (eye worm) hypothetical protein 0.0092 0.0237 0.0237
Schistosoma mansoni hypothetical protein 0.0373 0.1434 0.2462
Loa Loa (eye worm) hypothetical protein 0.0077 0.0171 0.0171
Loa Loa (eye worm) hypothetical protein 0.0092 0.0237 0.0237
Schistosoma mansoni glutamate receptor kainate 0.0039 0.0008 0.0014
Mycobacterium tuberculosis Conserved hypothetical protein 0.0092 0.0237 0.0356
Trypanosoma brucei cdc2-related kinase 3 0.0037 0.0002 0.005
Loa Loa (eye worm) hypothetical protein 0.025 0.091 0.091
Brugia malayi EGF-like domain containing protein 0.0077 0.0171 0.0171
Loa Loa (eye worm) hypothetical protein 0.0124 0.0374 0.0374
Giardia lamblia hypothetical protein 0.0077 0.0171 0.9139
Entamoeba histolytica protein kinase, putative 0.0081 0.0188 1
Mycobacterium tuberculosis Conserved protein 0.0117 0.0343 0.0568
Mycobacterium ulcerans monoamine oxidase 0.0092 0.0237 0.033
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.1723 0.7182 0.9748
Trypanosoma cruzi UDP-galactopyranose mutase 0.0092 0.0237 0.6926
Mycobacterium ulcerans beta-lactamase 0.0117 0.0343 0.0526
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0142 0.0451 0.0612
Mycobacterium tuberculosis Probable lipase LipE 0.0117 0.0343 0.0568
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0142 0.0451 0.0612
Loa Loa (eye worm) hypothetical protein 0.0117 0.0343 0.0343
Loa Loa (eye worm) hypothetical protein 0.0881 0.3595 0.3595
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.1219 0.5037 1
Schistosoma mansoni glutamate receptor AMPA 0.0039 0.0008 0.0014
Echinococcus multilocularis integrin beta 2 0.1766 0.7368 1
Brugia malayi beta-lactamase family protein 0.0117 0.0343 0.0343
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0081 0.0188 0.0322
Onchocerca volvulus 0.0117 0.0343 0.8451
Brugia malayi beta-lactamase 0.0117 0.0343 0.0343
Mycobacterium ulcerans oxidoreductase 0.0092 0.0237 0.033
Loa Loa (eye worm) hypothetical protein 0.0117 0.0343 0.0343
Loa Loa (eye worm) beta-lactamase 0.0117 0.0343 0.0343
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0081 0.0188 0.0575
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0116 0.034 0.0461
Echinococcus multilocularis fibrillin 2 0.0077 0.0171 0.0233
Schistosoma mansoni caspase-7 (C14 family) 0.0095 0.0248 0.0425
Plasmodium falciparum glycogen synthase kinase 3 0.0081 0.0188 0.0575
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0748 0.3031 0.5969
Echinococcus granulosus cyclin dependent kinase 1 0.0037 0.0002 0.0002
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0092 0.0237 0.0322
Loa Loa (eye worm) integrin alpha pat-2 0.1794 0.7487 0.7487
Mycobacterium ulcerans lipase LipD 0.0117 0.0343 0.0526
Loa Loa (eye worm) hypothetical protein 0.0117 0.0343 0.0343
Echinococcus granulosus integrin alpha ps 0.0522 0.2067 0.2805
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0081 0.0188 0.5469
Loa Loa (eye worm) hypothetical protein 0.0914 0.3737 0.3737
Trichomonas vaginalis CMGC family protein kinase 0.0081 0.0188 0.5469
Trypanosoma brucei protein kinase, putative 0.0081 0.0188 0.5469
Brugia malayi intracellular kinase 0.0081 0.0188 0.0188
Echinococcus multilocularis apoptotic protease activating factor 1 0.0095 0.0248 0.0336
Entamoeba histolytica protein kinase domain containing protein 0.0081 0.0188 1
Schistosoma mansoni serine/threonine protein kinase 0.0037 0.0002 0.0003
Mycobacterium tuberculosis 3-dehydroquinate synthase AroB 0.0132 0.0407 0.0697
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0092 0.0237 0.073
Brugia malayi follicle stimulating hormone receptor 0.0241 0.087 0.087
Mycobacterium leprae 3-dehydroquinate synthase AroB 0.0132 0.0407 0.1328
Echinococcus multilocularis caspase 2 0.0095 0.0248 0.0336
Brugia malayi hypothetical protein 0.0362 0.1387 0.1387
Brugia malayi Integrin alpha pat-2 precursor 0.1164 0.4802 0.4802
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0081 0.0188 0.5469
Onchocerca volvulus Cell death protein 3 homolog 0.0095 0.0248 0.376
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0117 0.0343 0.0568
Trypanosoma cruzi cdc2-related kinase 3 0.0037 0.0002 0.005
Trypanosoma cruzi hypothetical protein, conserved 0.0117 0.0343 1
Loa Loa (eye worm) kelch domain-containing protein family protein 0.0362 0.1387 0.1387
Toxoplasma gondii histone lysine-specific demethylase 0.0092 0.0237 0.073
Mycobacterium tuberculosis Possible oxidoreductase 0.0092 0.0237 0.0356
Trichomonas vaginalis hypothetical protein 0.0077 0.0171 0.4999
Plasmodium vivax hypothetical protein, conserved 0.0092 0.0237 0.073
Echinococcus multilocularis baculoviral IAP repeat containing protein 0.0124 0.0374 0.0508
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0092 0.0237 0.073
Echinococcus granulosus integrin beta 2 0.1766 0.7368 1
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0037 0.0002 0.0002
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0049 0.0052 0.007
Brugia malayi Glutamate receptor 2 precursor 0.0039 0.0008 0.0008
Giardia lamblia Kinase, CMGC GSK 0.0081 0.0188 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0116 0.034 0.0562
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0037 0.0002 0.0002
Trichomonas vaginalis CMGC family protein kinase 0.0037 0.0002 0.005
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.0207 0.0727 0.5
Echinococcus multilocularis integrin alpha ps 0.0522 0.2067 0.2805
Trichomonas vaginalis penicillin-binding protein, putative 0.0117 0.0343 1
Mycobacterium tuberculosis Conserved protein 0.0117 0.0343 0.0568
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0241 0.087 0.087
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0117 0.0343 0.0568
Mycobacterium leprae probable 3-phosphoshikimate 1-carboxyvinyl transferase AroA (5-ENOLPYRUVYLSHIKIMATE-3-PHOSPHATE SYNTHASE) (EPSP SYNTHASE) (EPSPS 0.034 0.129 0.8248
Loa Loa (eye worm) MH2 domain-containing protein 0.0124 0.0373 0.0373
Giardia lamblia Tenascin-like 0.0077 0.0171 0.9139
Echinococcus granulosus fibrillin 1 0.0077 0.0171 0.0233
Loa Loa (eye worm) hypothetical protein 0.0117 0.0343 0.0343
Echinococcus multilocularis nmda type glutamate receptor 0.0071 0.0145 0.0197
Loa Loa (eye worm) hypothetical protein 0.0092 0.0237 0.0237
Schistosoma mansoni hypothetical protein 0.025 0.091 0.1562
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0092 0.0237 0.0408
Onchocerca volvulus 0.0117 0.0343 0.8451
Mycobacterium leprae Probable lipase LipE 0.0117 0.0343 0.0826
Loa Loa (eye worm) hypothetical protein 0.0117 0.0343 0.0343
Echinococcus multilocularis beta LACTamase domain containing family member 0.0117 0.0343 0.0465
Echinococcus multilocularis fibrillin 1 0.0077 0.0171 0.0233
Echinococcus granulosus adam 0.0077 0.0171 0.0233
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0049 0.0052 0.007
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0049 0.0052 0.007
Echinococcus multilocularis integrin alpha ps 0.0522 0.2067 0.2805
Mycobacterium ulcerans UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.0207 0.0727 0.1242
Toxoplasma gondii shikimate dehydrogenase substrate binding domain-containing protein 0.034 0.129 0.3991
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0117 0.0343 0.0568
Schistosoma mansoni hypothetical protein 0.0124 0.0374 0.0643
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0117 0.0343 0.0589
Mycobacterium ulcerans dehydrogenase 0.0092 0.0237 0.033
Schistosoma mansoni integrin alpha-ps 0.0522 0.2067 0.3549
Onchocerca volvulus 0.0092 0.0237 0.3256
Brugia malayi Cell death protein 3 precursor 0.0095 0.0248 0.0248
Schistosoma mansoni glutamate receptor kainate 0.0039 0.0008 0.0014
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0117 0.0343 0.0589
Echinococcus granulosus lysine specific histone demethylase 1A 0.0092 0.0237 0.0322
Brugia malayi MH2 domain containing protein 0.0124 0.0373 0.0373
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0116 0.034 0.0461
Trichomonas vaginalis D-aminoacylase, putative 0.0117 0.0343 1
Chlamydia trachomatis chorismate synthase 0.0795 0.3231 1
Trypanosoma cruzi cdc2-related kinase 1 0.0037 0.0002 0.005
Loa Loa (eye worm) glutamate receptor 2 0.0039 0.0008 0.0008
Echinococcus granulosus glutamate receptor 2 0.0049 0.0052 0.007
Mycobacterium ulcerans 3-dehydroquinate synthase 0.0132 0.0407 0.0646
Echinococcus granulosus integrin alpha ps 0.025 0.091 0.1235
Onchocerca volvulus 0.0117 0.0343 0.8451
Schistosoma mansoni inhibitor of apoptosis (iap) domain family member 0.0124 0.0374 0.0643
Echinococcus multilocularis geminin 0.0373 0.1434 0.1947
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0124 0.0374 0.0374
Brugia malayi Glutamate receptor 1 precursor 0.0039 0.0008 0.0008
Onchocerca volvulus 0.0124 0.0374 1
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0081 0.0188 0.0188
Giardia lamblia Kinase, CMGC CDK 0.0037 0.0002 0.0091
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0116 0.034 0.034
Schistosoma mansoni inhibitor of apoptosis protein 0.0124 0.0374 0.0643
Trypanosoma cruzi UDP-galactopyranose mutase 0.0092 0.0237 0.6926
Plasmodium vivax chorismate synthase 0.0795 0.3231 1
Giardia lamblia Tenascin precursor 0.0077 0.0171 0.9139
Brugia malayi amine oxidase, flavin-containing family protein 0.0092 0.0237 0.0237
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0037 0.0002 0.005
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0116 0.034 0.052
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0092 0.0237 0.033
Echinococcus granulosus baculoviral IAP repeat containing protein 0.0124 0.0374 0.0508
Brugia malayi Kelch motif family protein 0.0362 0.1387 0.1387
Trichomonas vaginalis CMGC family protein kinase 0.0037 0.0002 0.005
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0142 0.0451 0.0451
Echinococcus multilocularis cyclin dependent kinase 5 0.0037 0.0002 0.0002
Echinococcus granulosus fibrillin 2 0.0077 0.0171 0.0233
Leishmania major hypothetical protein, conserved 0.0117 0.0343 1
Trypanosoma brucei hypothetical protein, conserved 0.0117 0.0343 1
Echinococcus multilocularis integrin alpha 3 0.0892 0.3645 0.4947
Chlamydia trachomatis UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.0207 0.0727 0.2104
Echinococcus multilocularis glutamate receptor 2 0.0039 0.0008 0.0011
Giardia lamblia Tenascin-X 0.0077 0.0171 0.9139
Giardia lamblia Kinase, CMGC CDK 0.0037 0.0002 0.0091
Brugia malayi EGF-like domain containing protein 0.0077 0.0171 0.0171
Plasmodium falciparum chorismate synthase 0.0795 0.3231 1
Entamoeba histolytica protein kinase domain containing protein 0.0081 0.0188 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0117 0.0343 0.0343
Onchocerca volvulus 0.0081 0.0188 0.0795
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0037 0.0002 0.005
Brugia malayi hypothetical protein 0.0095 0.0248 0.0248
Echinococcus granulosus nmda type glutamate receptor 0.0071 0.0145 0.0197
Echinococcus granulosus protein kinase shaggy 0.0081 0.0188 0.0255
Toxoplasma gondii hypothetical protein 0.0077 0.0171 0.0526
Loa Loa (eye worm) hypothetical protein 0.0092 0.0237 0.0237
Mycobacterium tuberculosis Probable lipase LipD 0.0117 0.0343 0.0568
Mycobacterium ulcerans 3-phosphoshikimate 1-carboxyvinyltransferase 0.034 0.129 0.2291
Echinococcus multilocularis cyclin dependent kinase 0.0037 0.0002 0.0002
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0037 0.0002 0.0002
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0142 0.0451 0.0774
Loa Loa (eye worm) hypothetical protein 0.0077 0.0171 0.0171
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0116 0.034 0.9912
Echinococcus multilocularis cyclin dependent kinase 1 0.0037 0.0002 0.0002
Schistosoma mansoni serine/threonine protein kinase 0.0037 0.0002 0.0003
Loa Loa (eye worm) integrin beta-2 0.2384 1 1
Schistosoma mansoni glutamate receptor NMDA 0.0039 0.0008 0.0014
Brugia malayi beta-lactamase family protein 0.0117 0.0343 0.0343
Loa Loa (eye worm) hypothetical protein 0.0077 0.0171 0.0171
Leishmania major UDP-galactopyranose mutase 0.0092 0.0237 0.6926
Brugia malayi EGF-like domain containing protein 0.0077 0.0171 0.0171
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0092 0.0237 0.073
Toxoplasma gondii chorismate synthase, putative 0.0795 0.3231 1
Mycobacterium ulcerans esterase/lipase LipP 0.0117 0.0343 0.0526
Loa Loa (eye worm) hypothetical protein 0.0095 0.0248 0.0248
Mycobacterium tuberculosis Conserved protein 0.0117 0.0343 0.0568
Echinococcus granulosus cyclin dependent kinase 0.0037 0.0002 0.0002
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0142 0.0451 0.0774
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0081 0.0188 0.0188
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0049 0.0052 0.007
Mycobacterium leprae Chorismate synthase AroF (5-enolpyruvylshikimate-3-phosphate phospholyase). 0.0392 0.1514 1
Trypanosoma cruzi cdc2-related kinase 3 0.0037 0.0002 0.005
Onchocerca volvulus 0.0095 0.0248 0.376
Schistosoma mansoni integrin alpha-ps 0.0272 0.1001 0.1719
Schistosoma mansoni amine oxidase 0.0092 0.0237 0.0408
Trichomonas vaginalis CMGC family protein kinase 0.0081 0.0188 0.5469
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0117 0.0343 0.0526
Trichomonas vaginalis teneurin and N-acetylglucosamine-1-phosphodiester alpha-N-acetylglucosaminidase, putative 0.0077 0.0171 0.4999
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0142 0.0451 0.0774
Brugia malayi SWIRM domain containing protein 0.0092 0.0237 0.0237
Giardia lamblia Neurogenic locus Notch protein precursor 0.0077 0.0171 0.9139
Echinococcus multilocularis integrin alpha ps 0.025 0.091 0.1235
Trichomonas vaginalis CMGC family protein kinase 0.0037 0.0002 0.005
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0071 0.0145 0.0197
Giardia lamblia High cysteine protein 0.0077 0.0171 0.9139
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0142 0.0451 0.0612
Entamoeba histolytica cell division protein kinase 2, putative 0.0037 0.0002 0.0091
Trichomonas vaginalis D-aminoacylase, putative 0.0117 0.0343 1
Plasmodium falciparum protoporphyrinogen oxidase 0.0092 0.0237 0.073
Loa Loa (eye worm) hypothetical protein 0.0642 0.258 0.258
Onchocerca volvulus Deterin homolog 0.0124 0.0374 1
Echinococcus multilocularis 0.0092 0.0237 0.0322
Schistosoma mansoni hypothetical protein 0.0373 0.1434 0.2462
Echinococcus granulosus inhibitor of apoptosis protein 0.0124 0.0374 0.0508
Echinococcus granulosus lysine specific histone demethylase 1A 0.0092 0.0237 0.0322
Echinococcus granulosus caspase 2 0.0095 0.0248 0.0336
Schistosoma mansoni amine oxidase 0.0092 0.0237 0.0408
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.1311 0.543 1
Echinococcus multilocularis inhibitor of apoptosis protein 0.0124 0.0374 0.0508
Echinococcus granulosus integrin alpha 3 0.0892 0.3645 0.4947
Schistosoma mansoni ATP-binding cassette transporter 0.0039 0.0008 0.0014
Giardia lamblia High cysteine protein 0.0077 0.0171 0.9139
Loa Loa (eye worm) hypothetical protein 0.0095 0.0248 0.0248
Schistosoma mansoni glutamate receptor AMPA 0.0039 0.0008 0.0014
Plasmodium vivax hypothetical protein, conserved 0.0117 0.0343 0.1057
Treponema pallidum UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.0207 0.0727 1
Chlamydia trachomatis dehyroquinate synthase 0.0132 0.0407 0.1093
Loa Loa (eye worm) hypothetical protein 0.0092 0.0237 0.0237
Trichomonas vaginalis esterase, putative 0.0117 0.0343 1
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0092 0.0237 0.0408
Echinococcus granulosus cyclin dependent kinase 5 0.0037 0.0002 0.0002
Echinococcus granulosus glutamate NMDA receptor subunit 0.0039 0.0008 0.0011
Trichomonas vaginalis D-aminoacylase, putative 0.0117 0.0343 1
Mycobacterium tuberculosis Probable chorismate synthase AroF (5-enolpyruvylshikimate-3-phosphate phospholyase) 0.0392 0.1514 0.2921
Loa Loa (eye worm) transcription factor SMAD2 0.0124 0.0373 0.0373
Mycobacterium tuberculosis 3-phosphoshikimate 1-carboxyvinyltransferase AroA (5-enolpyruvylshikimate-3-phosphate synthase) (EPSP synthase) (EPSPS) 0.0132 0.0407 0.0697
Loa Loa (eye worm) glutamate receptor 1 0.0039 0.0008 0.0008
Schistosoma mansoni hypothetical protein 0.0095 0.0248 0.0425
Echinococcus granulosus beta LACTamase domain containing family member 0.0117 0.0343 0.0465
Entamoeba histolytica cell division protein kinase 2, putative 0.0037 0.0002 0.0091
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0116 0.034 0.052
Echinococcus multilocularis protein jagged 2 0.0077 0.0171 0.0233
Plasmodium vivax glycogen synthase kinase 3, putative 0.0081 0.0188 0.0575
Chlamydia trachomatis phosphoshikimate 1-carboxyl vinyltransferase 0.034 0.129 0.388
Trypanosoma cruzi hypothetical protein, conserved 0.0117 0.0343 1
Loa Loa (eye worm) hypothetical protein 0.0272 0.1001 0.1001
Brugia malayi cell division control protein 2 homolog 0.0037 0.0002 0.0002
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0116 0.034 0.0584
Mycobacterium tuberculosis Probable hydrolase 0.0117 0.0343 0.0568
Brugia malayi hypothetical protein 0.0092 0.0237 0.0237
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0049 0.0052 0.007
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0049 0.0052 0.007
Schistosoma mansoni glutamate receptor kainate 0.0039 0.0008 0.0014
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0037 0.0002 0.0002
Echinococcus multilocularis protein kinase shaggy 0.0081 0.0188 0.0255
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0109 0.0306 0.0306
Schistosoma mansoni glutamate receptor NMDA 0.0049 0.0052 0.0089
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0039 0.0008 0.0011
Schistosoma mansoni integrin beta subunit 0.1404 0.5824 1
Schistosoma mansoni 3-dehydroquinate synthase 0.0132 0.0407 0.0699
Loa Loa (eye worm) hypothetical protein 0.0117 0.0343 0.0343
Loa Loa (eye worm) hypothetical protein 0.0077 0.0171 0.0171
Mycobacterium tuberculosis Probable esterase LipL 0.0117 0.0343 0.0568
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.1311 0.543 1
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0081 0.0188 0.0255
Echinococcus granulosus geminin 0.0373 0.1434 0.1947
Loa Loa (eye worm) hypothetical protein 0.0362 0.1387 0.1387
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0881 0.3595 0.3595
Echinococcus multilocularis cyclin dependent kinase 1 0.0037 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0092 0.0237 0.0237
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0142 0.0451 0.0612
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0049 0.0052 0.007
Trypanosoma brucei cdc2-related kinase 1 0.0037 0.0002 0.005
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0124 0.0374 0.0374
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0092 0.0237 0.073
Giardia lamblia Tenascin-37 0.0077 0.0171 0.9139

Activities

Activity type Activity value Assay description Source Reference
Saluretic potency (ADMET) = 0.2 u equiv Saluretic property (excretion of Na+ in rat after PO dosing) ChEMBL. 7097728
Saluretic potency (ADMET) < 0.3 u equiv Saluretic property (excretion of Na+ in rat) ChEMBL. 7097728
Saluretic potency (ADMET) = 0 u equiv min-1 Saluretic property was estimated by the excretion of Na+ in dog administered intravenously; microequiv of Na+/min at 5 mg/kg iv stat, 0-99 ChEMBL. 7097728

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.