Detailed information for compound 1102222

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 375.374 | Formula: C22H17NO5
  • H donors: 0 H acceptors: 3 LogP: 3.45 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)O[C@H]1C=CC(=O)O[C@@H]1c1nc(oc1c1ccccc1)c1ccccc1
  • InChi: 1S/C22H17NO5/c1-14(24)26-17-12-13-18(25)27-21(17)19-20(15-8-4-2-5-9-15)28-22(23-19)16-10-6-3-7-11-16/h2-13,17,21H,1H3/t17-,21-/m0/s1
  • InChiKey: WGOOAVHRNDPOLN-UWJYYQICSA-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
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0583 0.0634
Trichomonas vaginalis glucosylceramidase, putative 0.0168 0.3465 0.6322
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.01 0.1987 0.1987
Brugia malayi PHD-finger family protein 0.0026 0.0379 0.0375
Brugia malayi MH1 domain containing protein 0.0017 0.0165 0.0161
Loa Loa (eye worm) hypothetical protein 0.001 0.0027 0.0027
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0099 0.1964 0.1964
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0024 0.0332 0.0328
Loa Loa (eye worm) hypothetical protein 0.0036 0.0583 0.0583
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0099 0.1964 0.2209
Echinococcus granulosus GTP binding nuclear protein Ran 0.0024 0.0332 0.0332
Onchocerca volvulus 0.0029 0.0436 0.119
Trypanosoma brucei metacaspase MCA3 0.0027 0.0388 0.1977
Trichomonas vaginalis inositol monophosphatase, putative 0.0074 0.1414 0.2391
Schistosoma mansoni zinc finger protein 0.0015 0.0135 0.0124
Loa Loa (eye worm) hypothetical protein 0.001 0.0027 0.0027
Onchocerca volvulus Cell death protein 3 homolog 0.0027 0.0388 0.1051
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0024 0.0332 0.1538
Mycobacterium tuberculosis Conserved protein 0.0036 0.0583 0.0902
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0061 0.113 0.113
Loa Loa (eye worm) hypothetical protein 0.0036 0.0583 0.0583
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0027 0.0388 0.0424
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0583 0.0902
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0027 0.0027
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0074 0.1414 0.2391
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0027 0.0388 0.0424
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0027 0.0388 0.0518
Loa Loa (eye worm) hypothetical protein 0.0036 0.0583 0.0583
Trichomonas vaginalis glucosylceramidase, putative 0.0256 0.5384 1
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0027 0.0388 0.0518
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0024 0.0332 0.1538
Trichomonas vaginalis glucosylceramidase, putative 0.0177 0.3663 0.67
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0074 0.1414 1
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0186 0.0186
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0187 0.0183
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0228 0.4774 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0074 0.1414 1
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0583 1
Mycobacterium ulcerans hypothetical protein 0.0036 0.0583 0.3331
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0027 0.0023
Schistosoma mansoni survival motor neuron protein 0.0096 0.1884 0.2118
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0027 0.0023
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0027 0.0388 0.0424
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0058 0.1066 0.1062
Schistosoma mansoni ferritin 0.0017 0.0167 0.016
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0256 0.5384 0.5382
Loa Loa (eye worm) hypothetical protein 0.004 0.0685 0.0685
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0054 0.0981 0.0981
Echinococcus granulosus histone lysine methyltransferase setb 0.0018 0.0187 0.0187
Loa Loa (eye worm) MH2 domain-containing protein 0.0243 0.5097 0.5097
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0388 0.0424
Schistosoma mansoni inositol monophosphatase 0.0074 0.1414 0.1583
Brugia malayi beta-lactamase family protein 0.0036 0.0583 0.0579
Echinococcus granulosus importin subunit beta 1 0.0033 0.0521 0.0521
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0234 0.4896 0.4896
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0027 0.0388 0.0424
Plasmodium falciparum metacaspase-like protein 0.0027 0.0388 0.2965
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0027 0.0023
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0027 0.0027
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0583 0.0583
Onchocerca volvulus 0.0031 0.0475 0.1303
Brugia malayi ecdysteroid receptor 0.001 0.0027 0.0023
Loa Loa (eye worm) hypothetical protein 0.001 0.0027 0.0027
Brugia malayi MH1 domain containing protein 0.0017 0.0165 0.0161
Loa Loa (eye worm) Smad1 0.0017 0.0165 0.0165
Onchocerca volvulus Huntingtin homolog 0.0124 0.2498 0.7185
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0027 0.0023
Treponema pallidum bacterioferrin (TpF1) 0.0017 0.0167 0.5
Schistosoma mansoni hypothetical protein 0.0352 0.7453 0.8469
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0027 0.0027
Brugia malayi beta-lactamase family protein 0.0036 0.0583 0.0579
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0027 0.0023
Mycobacterium ulcerans lipase LipD 0.0036 0.0583 0.3331
Schistosoma mansoni hypothetical protein 0.0413 0.8795 1
Schistosoma mansoni apoferritin-2 0.0017 0.0167 0.016
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0027 0.0023
Trypanosoma cruzi metacaspase, putative 0.0027 0.0388 0.1977
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0027 0.0027
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0388 0.0424
Echinococcus multilocularis dnaJ subfamily B 0.0413 0.8795 0.8795
Trichomonas vaginalis glucosylceramidase, putative 0.0168 0.3465 0.6322
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0015 0.0128 0.0128
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0583 0.0902
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0027 0.0023
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0096 0.1884 0.1881
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0583 0.3497
Loa Loa (eye worm) PHD-finger family protein 0.002 0.025 0.025
Loa Loa (eye worm) hypothetical protein 0.0009 0.0004 0.0004
Plasmodium falciparum importin beta, putative 0.0033 0.0521 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0027 0.0023
Schistosoma mansoni ferritin 0.0017 0.0167 0.016
Loa Loa (eye worm) nuclear factor I 0.0009 0.0004 0.0004
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0027 0.0027
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0583 0.0902
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0099 0.1964 0.2209
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0058 0.1066 0.195
Brugia malayi Bromodomain containing protein 0.0076 0.1461 0.1457
Brugia malayi MH2 domain containing protein 0.0017 0.0165 0.0161
Brugia malayi CXXC zinc finger family protein 0.0029 0.0436 0.0432
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.1127 0.1254
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0039 0.0035
Loa Loa (eye worm) beta-lactamase 0.0036 0.0583 0.0583
Onchocerca volvulus 0.0036 0.0583 0.1616
Loa Loa (eye worm) hypothetical protein 0.0036 0.0583 0.0583
Schistosoma mansoni smad1 5 8 and 0.0017 0.0165 0.0158
Loa Loa (eye worm) hypothetical protein 0.001 0.0027 0.0027
Echinococcus multilocularis cpg binding protein 0.0033 0.0513 0.0513
Schistosoma mansoni cpg binding protein 0.0033 0.0513 0.0555
Trichomonas vaginalis glucosylceramidase, putative 0.0168 0.3465 0.6322
Brugia malayi steroid hormone receptor 0.001 0.0027 0.0023
Trichomonas vaginalis glucosylceramidase, putative 0.0168 0.3465 0.6322
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0027 0.0027
Schistosoma mansoni importin beta-1 0.0033 0.0521 0.0564
Toxoplasma gondii ABC1 family protein 0.0036 0.0583 0.2314
Schistosoma mansoni caspase-7 (C14 family) 0.0027 0.0388 0.0412
Echinococcus multilocularis musashi 0.0031 0.0475 0.0475
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0027 0.0388 0.0424
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0583 0.3497
Trichomonas vaginalis ran, putative 0.0024 0.0332 0.0316
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0027 0.0023
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.0475 0.0475
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0027 0.0023
Echinococcus multilocularis caspase 3 0.0073 0.1403 0.1403
Echinococcus granulosus dnaJ subfamily B 0.0413 0.8795 0.8795
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0386 0.0419
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0015 0.0128 0.0128
Echinococcus granulosus caspase 8 0.0027 0.0388 0.0388
Schistosoma mansoni apoferritin-2 0.0017 0.0167 0.016
Trichomonas vaginalis glucosylceramidase, putative 0.0256 0.5384 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0583 0.0634
Schistosoma mansoni smad1 5 8 and 0.0017 0.0165 0.0158
Loa Loa (eye worm) intermediate filament protein 0.0031 0.0475 0.0475
Schistosoma mansoni lamin 0.0031 0.0475 0.0511
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0583 0.0902
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0027 0.0027
Trypanosoma cruzi metacaspase, putative 0.0027 0.0388 0.1977
Trypanosoma cruzi metacaspase 5, putative 0.0027 0.0388 0.1977
Schistosoma mansoni smad 0.0017 0.0165 0.0158
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0581 0.0581
Loa Loa (eye worm) MH1 domain-containing protein 0.0017 0.0165 0.0165
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0024 0.0332 0.0332
Mycobacterium leprae Probable lipase LipE 0.0036 0.0583 0.3852
Echinococcus multilocularis mothers against decapentaplegic 5 0.0017 0.0165 0.0165
Brugia malayi intermediate filament protein 0.0031 0.0475 0.0471
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0058 0.1066 0.7203
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0024 0.0332 0.0332
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0583 0.0796
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0388 0.0424
Trichomonas vaginalis importin beta-1, putative 0.0027 0.0386 0.0419
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0164 0.0164
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0388 0.0424
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0027 0.0023
Echinococcus multilocularis importin subunit beta 1 0.0033 0.0521 0.0521
Echinococcus granulosus caspase 3 0.0073 0.1403 0.1403
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0074 0.1414 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0027 0.0023
Schistosoma mansoni inositol monophosphatase 0.0074 0.1414 0.1583
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0027 0.0023
Trichomonas vaginalis glucosylceramidase, putative 0.0168 0.3465 0.6322
Brugia malayi tumor suppressor. 0.0325 0.6873 0.6872
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0099 0.1964 0.1964
Schistosoma mansoni ran 0.0024 0.0332 0.0348
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0583 0.0902
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0328 0.0328
Loa Loa (eye worm) hypothetical protein 0.007 0.1333 0.1333
Loa Loa (eye worm) transcription factor SMAD2 0.0243 0.5097 0.5097
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0583 0.3331
Echinococcus granulosus TGF beta signal transducer SmadC 0.0017 0.0165 0.0165
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0583 0.0583
Echinococcus multilocularis caspase 8 0.0027 0.0388 0.0388
Loa Loa (eye worm) hypothetical protein 0.0124 0.2498 0.2498
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0058 0.1066 0.1066
Echinococcus granulosus inositol monophosphatase 1 0.0074 0.1414 0.1414
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0027 0.0027
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0436 0.0436
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0027 0.0027
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0173 0.0173
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0583 0.3497
Schistosoma mansoni ferritin light chain 0.0017 0.0167 0.016
Echinococcus multilocularis caspase 2 0.0027 0.0388 0.0388
Echinococcus granulosus ferritin 0.0017 0.0167 0.0167
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0066 0.1246 0.2341
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0173 0.0173
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0066 0.1246 1
Echinococcus multilocularis caspase 0.01 0.1987 0.1987
Toxoplasma gondii HEAT repeat-containing protein 0.0033 0.0521 0.1747
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0027 0.0388 0.0518
Schistosoma mansoni bromodomain containing protein 0.0064 0.1208 0.1347
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0583 0.0902
Echinococcus granulosus expressed protein 0.0017 0.0167 0.0167
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0099 0.1964 0.196
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0583 0.0902
Schistosoma mansoni ferritin 0.0017 0.0167 0.016
Echinococcus granulosus protein quaking 0.0027 0.0403 0.0403
Trypanosoma cruzi metacaspase, putative 0.0027 0.0388 0.1977
Brugia malayi Importin beta-1 subunit 0.0033 0.0521 0.0517
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0061 0.113 0.113
Echinococcus granulosus snurportin 1 0.0352 0.7453 0.7453
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0256 0.5384 0.5384
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0062 0.1144 0.1274
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.1127 0.7692
Echinococcus granulosus FTZ F1 alpha 0.001 0.0027 0.0027
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0074 0.1414 1
Plasmodium vivax importin-beta 2, putative 0.0033 0.0521 0.755
Schistosoma mansoni lamin 0.0031 0.0475 0.0511
Echinococcus granulosus intermediate filament protein 0.0031 0.0475 0.0475
Brugia malayi beta-lactamase 0.0036 0.0583 0.0579
Echinococcus granulosus mothers against decapentaplegic 5 0.0017 0.0165 0.0165
Echinococcus granulosus lamin 0.0031 0.0475 0.0475
Schistosoma mansoni ferritin 0.0017 0.0167 0.016
Trypanosoma brucei metacaspase 0.0027 0.0388 0.1977
Schistosoma mansoni hypothetical protein 0.0027 0.0403 0.0429
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0173 0.0167
Brugia malayi hypothetical protein 0.0124 0.2498 0.2494
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0583 0.0583
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0027 0.0027
Loa Loa (eye worm) hypothetical protein 0.001 0.0027 0.0027
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0027 0.0027
Trichomonas vaginalis glucosylceramidase, putative 0.0256 0.5384 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0057 0.1052 0.6649
Loa Loa (eye worm) hypothetical protein 0.0124 0.2498 0.2498
Loa Loa (eye worm) hypothetical protein 0.0014 0.0116 0.0116
Brugia malayi Temporarily assigned gene name protein 44 0.0027 0.0403 0.0399
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.0521 0.3017
Schistosoma mansoni cpg binding protein 0.0033 0.0513 0.0555
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0027 0.0023
Loa Loa (eye worm) hypothetical protein 0.0031 0.0475 0.0475
Mycobacterium tuberculosis Conserved protein 0.0036 0.0583 0.0902
Plasmodium falciparum metacaspase 1 0.0027 0.0388 0.2965
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0074 0.1414 0.2391
Onchocerca volvulus Huntingtin homolog 0.0124 0.2498 0.7185
Loa Loa (eye worm) hypothetical protein 0.0036 0.0583 0.0583
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0027 0.0388 0.0424
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0074 0.1414 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0.1127 0.2083
Echinococcus multilocularis smad 0.0017 0.0165 0.0165
Loa Loa (eye worm) hypothetical protein 0.0036 0.0583 0.0583
Loa Loa (eye worm) hypothetical protein 0.0014 0.0116 0.0116
Echinococcus multilocularis protein quaking 0.0027 0.0403 0.0403
Entamoeba histolytica hypothetical protein 0.0027 0.0386 0.0496
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0386 0.0419
Echinococcus granulosus caspase 2 0.0027 0.0388 0.0388
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.0475 0.0471
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0027 0.0388 0.0424
Brugia malayi MH2 domain containing protein 0.0243 0.5097 0.5095
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0027 0.0027
Echinococcus granulosus cpg binding protein 0.0033 0.0513 0.0513
Echinococcus multilocularis inositol monophosphatase 1 0.0074 0.1414 0.1414
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0583 0.3331
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0027 0.0388 0.0424
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0027 0.0027
Schistosoma mansoni cpg binding protein 0.0029 0.0436 0.0467
Brugia malayi Cell death protein 3 precursor 0.0027 0.0388 0.0384
Brugia malayi Smad1 0.0017 0.0165 0.0161
Schistosoma mansoni ran 0.0024 0.0332 0.0348
Loa Loa (eye worm) hypothetical protein 0.003 0.0463 0.0463
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0058 0.1066 0.1185
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0187 0.0183
Loa Loa (eye worm) hypothetical protein 0.0027 0.0403 0.0403
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0027 0.0027
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.1127 0.1254
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0352 0.7453 0.7453
Schistosoma mansoni caspase-7 (C14 family) 0.01 0.1987 0.2235
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0024 0.0332 0.1538
Leishmania major GTP-binding protein, putative 0.0024 0.0332 0.1538
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0017 0.0165 0.0165
Schistosoma mansoni smad1 5 8 and 0.0017 0.0165 0.0158
Trichomonas vaginalis glucosylceramidase, putative 0.0177 0.3663 0.67
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0583 0.0579
Mycobacterium tuberculosis Conserved protein 0.0036 0.0583 0.0902
Trypanosoma cruzi metacaspase 5, putative 0.0027 0.0388 0.1977
Loa Loa (eye worm) hypothetical protein 0.0469 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0099 0.1964 0.1964
Onchocerca volvulus 0.0031 0.0475 0.1303
Schistosoma mansoni intermediate filament proteins 0.0031 0.0475 0.0511
Trichomonas vaginalis esterase, putative 0.0036 0.0583 0.0796
Onchocerca volvulus 0.0036 0.0583 0.1616
Loa Loa (eye worm) inositol-1 0.0074 0.1414 0.1414
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0027 0.0027
Schistosoma mansoni caspase-3 (C14 family) 0.01 0.1987 0.2235
Trypanosoma brucei Metacaspase-4 0.0027 0.0388 0.1977
Brugia malayi Bromodomain containing protein 0.0038 0.0632 0.0628
Schistosoma mansoni hypothetical protein 0.002 0.025 0.0255
Brugia malayi hypothetical protein 0.0027 0.0403 0.0399
Brugia malayi follicle stimulating hormone receptor 0.0234 0.4896 0.4893
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0328 0.0343
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0583 0.0796
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0058 0.1066 0.1066
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0583 0.0796
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0027 0.0027
Plasmodium vivax metacaspase 1, putative 0.0027 0.0388 0.2239
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0027 0.0388 0.0384
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0027 0.0388 0.0412
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0027 0.0023
Leishmania major hypothetical protein, conserved 0.0036 0.0583 0.3497
Leishmania major metacaspase, putative 0.0027 0.0388 0.1977
Brugia malayi MH2 domain containing protein 0.0017 0.0165 0.0161
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0583 0.0796
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.1127 0.7341
Loa Loa (eye worm) hypothetical protein 0.0038 0.0634 0.0634
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0583 0.0796
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.1127 0.775
Brugia malayi cytoplasmic intermediate filament protein 0.0016 0.0164 0.016
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.01 0.1987 0.1987
Schistosoma mansoni hypothetical protein 0.0015 0.0135 0.0124
Trichomonas vaginalis glucosylceramidase, putative 0.0168 0.3465 0.6322
Loa Loa (eye worm) tumor suppressor 0.0325 0.6873 0.6873
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0027 0.0388 0.0424
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0074 0.1414 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0027 0.0386 0.1958
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0027 0.0027
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.1127 0.1127
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0027 0.0027
Loa Loa (eye worm) hypothetical protein 0.001 0.0027 0.0027
Loa Loa (eye worm) hypothetical protein 0.0015 0.0128 0.0128
Brugia malayi Inositol-1 0.0074 0.1414 0.1411
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.1127 0.1127
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.1127 0.7692
Echinococcus multilocularis ferritin 0.0017 0.0167 0.0167
Leishmania major importin beta-1 subunit, putative 0.0027 0.0386 0.1958
Loa Loa (eye worm) hypothetical protein 0.0027 0.0388 0.0388
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0173 0.0167
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0027 0.0023
Trypanosoma brucei metacaspase MCA2 0.0027 0.0388 0.1977
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0027 0.0027
Schistosoma mansoni ferritin light chain 0.0017 0.0167 0.016
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0388 0.0424
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0099 0.1964 0.1964
Loa Loa (eye worm) hypothetical protein 0.0018 0.0187 0.0187
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0027 0.0027
Onchocerca volvulus Glucosylceramidase homolog 0.0168 0.3465 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0328 0.0328
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0027 0.0027
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0018 0.0187 0.0187
Echinococcus granulosus zinc finger protein 0.0021 0.0264 0.0264
Onchocerca volvulus 0.0096 0.1884 0.5402
Loa Loa (eye worm) hypothetical protein 0.001 0.0027 0.0027
Trichomonas vaginalis glucosylceramidase, putative 0.0168 0.3465 0.6322
Trypanosoma brucei metacaspase 5, putative 0.0027 0.0388 0.1977
Echinococcus multilocularis survival motor neuron protein 1 0.0469 1 1
Brugia malayi nuclear receptor NHR-88 0.001 0.0027 0.0023
Echinococcus multilocularis zinc finger protein 0.0021 0.0264 0.0264
Echinococcus multilocularis lamin dm0 0.0031 0.0475 0.0475
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0099 0.1964 0.2209
Schistosoma mansoni hypothetical protein 0.0096 0.1884 0.2118
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0024 0.0332 0.5
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0027 0.0027
Loa Loa (eye worm) hypothetical protein 0.0044 0.0762 0.0762
Trichomonas vaginalis glucosylceramidase, putative 0.0256 0.5384 1
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0583 0.3852
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0058 0.1066 0.7273
Plasmodium vivax hypothetical protein, conserved 0.0027 0.0388 0.2239
Echinococcus granulosus caspase 0.01 0.1987 0.1987
Onchocerca volvulus 0.0036 0.0583 0.1616
Trichomonas vaginalis glucosylceramidase, putative 0.0256 0.5384 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0017 0.0165 0.0165
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0058 0.1066 0.7203
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0581 0.0581
Mycobacterium ulcerans beta-lactamase 0.0036 0.0583 0.3331
Loa Loa (eye worm) hypothetical protein 0.001 0.0027 0.0027
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0027 0.0027
Brugia malayi RNA, U transporter 1 0.0094 0.1842 0.1839
Echinococcus multilocularis expressed protein 0.0017 0.0167 0.0167
Loa Loa (eye worm) hypothetical protein 0.0033 0.0521 0.0521
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0017 0.0165 0.0158
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0074 0.1414 1
Schistosoma mansoni zinc finger protein 0.0021 0.0264 0.027
Echinococcus granulosus hypothetical protein 0.0027 0.0403 0.0403
Echinococcus granulosus smad 0.0017 0.0165 0.0165
Echinococcus granulosus survival motor neuron protein 1 0.0469 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0027 0.0027
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0099 0.1964 0.1964
Loa Loa (eye worm) hypothetical protein 0.0027 0.0388 0.0388
Echinococcus multilocularis lamin 0.0031 0.0475 0.0475
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0074 0.1414 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.1127 0.7692
Trypanosoma cruzi metacaspase, putative 0.0027 0.0388 0.1977
Schistosoma mansoni Smad4 0.0017 0.0165 0.0158
Echinococcus multilocularis snurportin 1 0.0352 0.7453 0.7453
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0027 0.0027
Trichomonas vaginalis glucosylceramidase, putative 0.0256 0.5384 1
Schistosoma mansoni hypothetical protein 0.0027 0.0403 0.0429
Echinococcus granulosus Smad4 0.0017 0.0165 0.0165
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.0521 0.3017
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0388 0.0424
Echinococcus granulosus lamin dm0 0.0031 0.0475 0.0475
Brugia malayi nuclear hormone receptor 0.001 0.0027 0.0023
Echinococcus multilocularis Smad4 0.0017 0.0165 0.0165

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 2.59 uM Cytotoxicity against human HL60 cells after 48 hrs by MTT assay ChEMBL. 21775031
IC50 (functional) = 11.96 uM Cytotoxicity against human SKBR3 cells after 48 hrs by MTT assay ChEMBL. 21775031
IC50 (functional) = 13.9 uM Cytotoxicity against human PANC1 cells after 48 hrs by MTT assay ChEMBL. 21775031
IC50 (functional) = 14.71 uM Cytotoxicity against human A549 cells after 48 hrs by MTT assay ChEMBL. 21775031
IC50 (functional) = 15.69 uM Cytotoxicity against human SMMC7721 cells after 48 hrs by MTT assay ChEMBL. 21775031

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 21775031

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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