Detailed information for compound 278730

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 333.208 | Formula: C13H20INO
  • H donors: 1 H acceptors: 1 LogP: 3.72 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(Cc1cc(cc(c1O)I)C(C)(C)C)C
  • InChi: 1S/C13H20INO/c1-13(2,3)10-6-9(8-15(4)5)12(16)11(14)7-10/h6-7,16H,8H2,1-5H3
  • InChiKey: XCTGWUBSZMSEJY-UHFFFAOYSA-N  


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

Activities

Activity type Activity value Assay description Source Reference
Saluretic potency (ADMET) = 1.4 u equiv Saluretic property was estimated by the excretion of Na+ in rat administered orally; microequiv of Na+ at 5 mg/kg iv stat ChEMBL. 7097728
Saluretic potency (ADMET) = 2.7 u equiv Saluretic property was estimated by the excretion of Na+ in rat administered orally; microequiv of Na+ at 16.5 mg/kg iv stat ChEMBL. 7097728
Saluretic potency (ADMET) = 3.3 u equiv Saluretic property (excretion of Na+ in rat after PO dosing) 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.