Detailed information for compound 1445510

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 378.509 | Formula: C20H34N4O3
  • H donors: 2 H acceptors: 3 LogP: 3.56 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCN(c1c(=O)[nH]c(=O)n(c1N)CC(C)C)C(=O)CC1CCCCC1
  • InChi: 1S/C20H34N4O3/c1-4-5-11-23(16(25)12-15-9-7-6-8-10-15)17-18(21)24(13-14(2)3)20(27)22-19(17)26/h14-15H,4-13,21H2,1-3H3,(H,22,26,27)
  • InChiKey: TZMOCEWWJHWONB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
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 alpha-glucosidase, putative 0.0041 0.0018 0.1563
Echinococcus granulosus neutral alpha glucosidase AB 0.0041 0.0018 0.0043
Trypanosoma brucei heat shock protein, putative 0.0035 0.0013 0.1354
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0021 0.0191
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0021 0.1851
Trypanosoma cruzi UDP-galactopyranose mutase 0.0083 0.0061 0.6291
Trichomonas vaginalis heat shock protein, putative 0.0028 0.0005 0.0118
Schistosoma mansoni alpha-glucosidase 0.0159 0.014 0.0163
Echinococcus granulosus neuropeptide s receptor 0.0455 0.0444 0.1445
Onchocerca volvulus 0.0107 0.0086 0.0264
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0083 0.0061 0.0068
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0082 0.006 0.0055
Entamoeba histolytica serine/threonine protein kinase, putative 0.0115 0.0095 1
Brugia malayi Heterochromatin protein 1 0.0069 0.0047 0.0041
Schistosoma mansoni serine/threonine protein kinase 0.0041 0.0019 0.0016
Echinococcus granulosus heat shock protein 90 0.0035 0.0013 0.0024
Leishmania major heat shock protein 83-1 0.0035 0.0013 0.1354
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0033 0.0091
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0033 0.0033
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0021 0.0191
Schistosoma mansoni serine/threonine protein kinase 0.0041 0.0019 0.0016
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0012 0.0008
Entamoeba histolytica hypothetical protein 0.0035 0.0013 0.1347
Echinococcus granulosus lysosomal alpha glucosidase 0.0185 0.0166 0.0529
Onchocerca volvulus 0.0043 0.0021 0.005
Echinococcus multilocularis beta adrenergic receptor kinase 0.0041 0.0019 0.0044
Trypanosoma cruzi heat shock protein 85, putative 0.0035 0.0013 0.0832
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0083 0.0061 0.0068
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0012 0.0022
Loa Loa (eye worm) heat shock protein 90 0.0035 0.0013 0.0008
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0038 0.0016 0.0033
Mycobacterium ulcerans monoamine oxidase 0.0083 0.0061 0.0519
Brugia malayi SWIRM domain containing protein 0.0083 0.0061 0.0056
Leishmania major heat shock protein 83-1 0.0035 0.0013 0.1354
Echinococcus multilocularis neutral alpha glucosidase AB 0.0041 0.0018 0.0043
Leishmania major heat shock protein 83-1 0.0035 0.0013 0.1354
Loa Loa (eye worm) hypothetical protein 0.0068 0.0046 0.0049
Trichomonas vaginalis CAMK family protein kinase 0.0068 0.0046 0.4655
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0083 0.0061 0.0519
Loa Loa (eye worm) hypothetical protein 0.0082 0.006 0.0067
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0083 0.0061 1
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0013 0.0008
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0018 0.1563
Loa Loa (eye worm) hypothetical protein 0.0083 0.0061 0.0068
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0115 0.0095 0.0294
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0083 0.0061 1
Schistosoma mansoni serine/threonine protein kinase 0.0115 0.0095 0.0108
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0013 0.0024
Toxoplasma gondii ABC1 family protein 0.0043 0.0021 0.3419
Trichomonas vaginalis CAMK family protein kinase 0.0115 0.0095 1
Giardia lamblia Kinase, PLK 0.0115 0.0095 1
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0083 0.0061 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0041 0.0018 0.0015
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0033 0.0091
Onchocerca volvulus 0.0043 0.0021 0.005
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0033 0.0027
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0055 0.0033 0.5369
Schistosoma mansoni hypothetical protein 0.0337 0.0323 0.0386
Loa Loa (eye worm) hypothetical protein 0.0099 0.0078 0.0088
Chlamydia trachomatis protoporphyrinogen oxidase 0.0083 0.0061 1
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0018 0.1462
Echinococcus multilocularis lysosomal alpha glucosidase 0.0185 0.0166 0.0529
Schistosoma mansoni hypothetical protein 0.0031 0.0009 0.0003
Trichomonas vaginalis heat shock protein, putative 0.0028 0.0005 0.0118
Leishmania major alpha glucosidase II subunit, putative 0.0041 0.0018 0.1948
Plasmodium falciparum heat shock protein 90 0.0035 0.0013 0.2083
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0021 0.0019
Leishmania major hypothetical protein, conserved 0.0043 0.0021 0.2223
Loa Loa (eye worm) hypothetical protein 0.0083 0.0061 0.0068
Leishmania major UDP-galactopyranose mutase 0.0083 0.0061 0.6502
Schistosoma mansoni serine/threonine protein kinase 0.8015 0.8211 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0041 0.0018 0.0013
Trypanosoma cruzi heat shock protein 85, putative 0.0035 0.0013 0.0832
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0028 0.0005 1
Brugia malayi Protein kinase domain containing protein 0.8015 0.8211 0.821
Treponema pallidum heat shock protein 90 0.0028 0.0005 1
Trypanosoma brucei heat shock protein, putative 0.0035 0.0013 0.1354
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0033 0.0033
Trypanosoma brucei heat shock protein, putative 0.0035 0.0013 0.1354
Toxoplasma gondii aspartyl protease ASP1 0.0055 0.0033 0.5369
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0055 0.0033 0.0091
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0055 0.0033 0.318
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0021 0.1851
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0012 0.0008
Leishmania major heat shock protein 83-1 0.0035 0.0013 0.1354
Schistosoma mansoni chromobox protein 0.0069 0.0047 0.005
Loa Loa (eye worm) hypothetical protein 0.0043 0.0021 0.0019
Leishmania major heat shock protein 83-1 0.0035 0.0013 0.1354
Giardia lamblia Heat shock protein HSP 90-alpha 0.0035 0.0013 0.0832
Plasmodium vivax hypothetical protein, conserved 0.0083 0.0061 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0033 0.0091
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0021 0.2223
Echinococcus granulosus expressed protein 0.0367 0.0354 0.1148
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0018 0.1563
Onchocerca volvulus Serine\/threonine kinase homolog 0.0115 0.0095 0.0292
Leishmania major heat shock protein 83-1 0.0035 0.0013 0.1354
Trypanosoma cruzi polo-like protein kinase, putative 0.0115 0.0095 1
Plasmodium vivax heat shock protein 86, putative 0.0035 0.0013 0.2083
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.1177 0.1185 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0115 0.0095 0.0108
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0094 0.0073 0.0223
Loa Loa (eye worm) hypothetical protein 0.0043 0.0021 0.0019
Brugia malayi heat shock protein 90 0.0035 0.0013 0.0007
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0016 0.1278
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0083 0.0061 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.0083 0.0061 0.0185
Onchocerca volvulus 0.0082 0.006 0.018
Schistosoma mansoni alpha glucosidase 0.0041 0.0018 0.0015
Trypanosoma brucei heat shock protein, putative 0.0035 0.0013 0.1354
Trypanosoma brucei polo-like protein kinase 0.0115 0.0095 1
Brugia malayi beta-lactamase family protein 0.0043 0.0021 0.0015
Mycobacterium ulcerans dehydrogenase 0.0083 0.0061 0.0519
Echinococcus multilocularis neuropeptide s receptor 0.0455 0.0444 0.1445
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0021 0.1851
Entamoeba histolytica hypothetical protein 0.0035 0.0013 0.1347
Mycobacterium tuberculosis Conserved hypothetical protein 0.0083 0.0061 0.0559
Trypanosoma brucei glucosidase, putative 0.0041 0.0018 0.1948
Echinococcus multilocularis geminin 0.0337 0.0323 0.1046
Schistosoma mansoni kinase 0.0069 0.0048 0.0051
Echinococcus multilocularis peregrin 0.0029 0.0006 0.0001
Mycobacterium leprae Probable lipase LipE 0.0043 0.0021 0.3419
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0018 0.1563
Brugia malayi chromobox protein homolog 3 0.0038 0.0016 0.001
Schistosoma mansoni amine oxidase 0.0083 0.0061 0.0068
Leishmania major heat shock protein 83-1 0.0035 0.0013 0.1354
Trypanosoma cruzi heat shock protein 85, putative 0.0035 0.0013 0.0832
Schistosoma mansoni hypothetical protein 0.0035 0.0013 0.0008
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0055 0.0033 0.0033
Schistosoma mansoni chromobox protein 0.0069 0.0047 0.005
Leishmania major heat shock protein 83-1 0.0035 0.0013 0.1354
Schistosoma mansoni serine/threonine protein kinase 0.0041 0.0019 0.0016
Echinococcus multilocularis 0.0083 0.0061 0.0185
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0012 0.0008
Onchocerca volvulus 0.0083 0.0061 0.0183
Trypanosoma brucei heat shock protein, putative 0.0035 0.0013 0.1354
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0016 0.1278
Plasmodium falciparum plasmepsin II 0.0055 0.0033 0.5369
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0021 0.0191
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0018 0.1563
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0041 0.0018 0.1563
Echinococcus multilocularis expressed protein 0.0367 0.0354 0.1148
Loa Loa (eye worm) hypothetical protein 0.0083 0.0061 0.0068
Leishmania major heat shock protein 83-1 0.0035 0.0013 0.1354
Loa Loa (eye worm) hypothetical protein 0.0083 0.0061 0.0068
Trichomonas vaginalis CAMK family protein kinase 0.0115 0.0095 1
Mycobacterium ulcerans lipase LipD 0.0043 0.0021 0.0177
Echinococcus multilocularis lysosomal alpha glucosidase 0.0185 0.0166 0.0529
Loa Loa (eye worm) hypothetical protein 0.0049 0.0027 0.0026
Plasmodium falciparum protoporphyrinogen oxidase 0.0083 0.0061 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0006 0.0001
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0041 0.0018 0.1948
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.0078 0.0073
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0006 0.0949
Onchocerca volvulus 0.003 0.0007 0.0005
Mycobacterium ulcerans oxidoreductase 0.0083 0.0061 0.0519
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0082 0.006 0.0067
Leishmania major heat shock protein 83-1 0.0035 0.0013 0.1354
Echinococcus multilocularis Cyclin dependent kinase 2 associated protein 0.2982 0.304 1
Mycobacterium ulcerans heat shock protein 90 0.0028 0.0005 0.0045
Trypanosoma cruzi heat shock protein 90, putative 0.0035 0.0013 0.0832
Trichomonas vaginalis chromobox protein, putative 0.0069 0.0047 0.4709
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0017 0.004
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.0262 0.2379
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0083 0.0061 1
Leishmania major heat shock protein 83-1 0.0035 0.0013 0.1354
Plasmodium falciparum plasmepsin I 0.0055 0.0033 0.5369
Mycobacterium ulcerans hypothetical protein 0.0043 0.0021 0.0177
Plasmodium falciparum plasmepsin VI 0.0055 0.0033 0.5369
Brugia malayi jmjC domain containing protein 0.0094 0.0073 0.0067
Echinococcus granulosus jumonji domain containing protein 0.004 0.0017 0.004
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0021 0.0191
Loa Loa (eye worm) hypothetical protein 0.2982 0.304 0.3698
Brugia malayi hypothetical protein 0.0083 0.0061 0.0056
Plasmodium vivax plasmepsin IV, putative 0.0055 0.0033 0.5369
Schistosoma mansoni deleted in oral cancer 1/cdk2-associated protein-like 0.2982 0.304 0.3698
Echinococcus granulosus GPCR family 2 0.0031 0.0009 0.0011
Giardia lamblia PHD finger protein 15 0.0029 0.0006 0.0051
Loa Loa (eye worm) endoplasmin 0.0035 0.0013 0.0008
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0021 0.1851
Schistosoma mansoni endoplasmin 0.0035 0.0013 0.0008
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.0078 0.0088
Trypanosoma brucei heat shock protein 90, putative 0.0035 0.0013 0.1354
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0021 0.0019
Plasmodium falciparum phd finger protein, putative 0.0029 0.0006 0.0949
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0013 0.0024
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0021 0.1754
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0041 0.0019 0.0013
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.1177 0.1185 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0021 0.0052
Trichomonas vaginalis CAMK family protein kinase 0.0115 0.0095 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0021 0.0191
Echinococcus granulosus geminin 0.0337 0.0323 0.1046
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0018 0.1462
Schistosoma mansoni hypothetical protein 0.0031 0.0009 0.0003
Trichomonas vaginalis CAMK family protein kinase 0.0068 0.0046 0.4655
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0021 0.0019
Echinococcus multilocularis heat shock protein 0.0035 0.0013 0.0024
Mycobacterium tuberculosis Conserved protein 0.0043 0.0021 0.0191
Onchocerca volvulus 0.0043 0.0021 0.005
Plasmodium vivax hypothetical protein, conserved 0.0083 0.0061 1
Brugia malayi hypothetical protein 0.0035 0.0013 0.0007
Echinococcus granulosus peregrin 0.0029 0.0006 0.0001
Schistosoma mansoni amine oxidase 0.0083 0.0061 0.0068
Schistosoma mansoni cathepsin D (A01 family) 0.0163 0.0143 0.0168
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.0078 0.0073
Loa Loa (eye worm) hypothetical protein 0.0038 0.0016 0.0012
Trypanosoma cruzi Heat shock protein 83, putative 0.0035 0.0013 0.0832
Mycobacterium tuberculosis Conserved protein 0.0043 0.0021 0.0191
Schistosoma mansoni hypothetical protein 0.0031 0.0009 0.0003
Trichomonas vaginalis maltase-glucoamylase, putative 0.0041 0.0018 0.1563
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.0037 0.0038
Brugia malayi Glycosyl hydrolases family 31 protein 0.0185 0.0166 0.016
Leishmania major heat shock protein 83-1 0.0035 0.0013 0.1354
Schistosoma mansoni cathepsin D (A01 family) 0.0163 0.0143 0.0168
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0028 0.0005 0.0875
Echinococcus multilocularis heat shock protein 90 0.0035 0.0013 0.0024
Entamoeba histolytica heat shock protein 90, putative 0.0035 0.0013 0.1354
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0033 0.0033
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0019 0.0043
Mycobacterium tuberculosis Possible oxidoreductase 0.0083 0.0061 0.0559
Mycobacterium ulcerans beta-lactamase 0.0043 0.0021 0.0177
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0009 0.0003
Trichomonas vaginalis CAMK family protein kinase 0.0115 0.0095 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0006 0.0949
Brugia malayi jmjC domain containing protein 0.0035 0.0012 0.0006
Trypanosoma cruzi UDP-galactopyranose mutase 0.0083 0.0061 0.6291
Brugia malayi beta-lactamase 0.0043 0.0021 0.0015
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0094 0.0073 0.0223
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0021 0.0191
Loa Loa (eye worm) hypothetical protein 0.0043 0.0021 0.0019
Loa Loa (eye worm) hypothetical protein 0.0083 0.0061 0.0068
Echinococcus multilocularis GPCR, family 2 0.0031 0.0009 0.0011
Schistosoma mansoni hypothetical protein 0.0031 0.0009 0.0003
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.0046 0.004
Echinococcus multilocularis chromobox protein 1 0.0069 0.0047 0.0137
Toxoplasma gondii heat shock protein HSP90 0.0035 0.0013 0.2083
Loa Loa (eye worm) hypothetical protein 0.0083 0.0061 0.0068
Trichomonas vaginalis heat shock protein, putative 0.0035 0.0013 0.0941
Trichomonas vaginalis esterase, putative 0.0043 0.0021 0.1851
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0021 0.1754
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0021 0.0177
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0009 0.0003
Trichomonas vaginalis CAMK family protein kinase 0.0115 0.0095 1
Trypanosoma brucei heat shock protein 90, putative 0.0035 0.0013 0.1354
Echinococcus multilocularis neuropeptide receptor A26 0.0455 0.0444 0.1445
Schistosoma mansoni hypothetical protein 0.0068 0.0046 0.0049
Echinococcus granulosus beta-adrenergic receptor kinase 0.0041 0.0019 0.0044
Loa Loa (eye worm) hypothetical protein 0.0055 0.0033 0.0033
Toxoplasma gondii heat shock protein 90, putative 0.0035 0.0013 0.2083
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0021 0.3419
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0041 0.0018 0.1563
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0019 0.161
Brugia malayi MH2 domain containing protein 0.0238 0.0221 0.0215
Loa Loa (eye worm) CAMK/CAMKL/CHK1 protein kinase 0.8015 0.8211 1
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0055 0.0033 0.0033
Trypanosoma brucei heat shock protein, putative 0.0035 0.0013 0.1354
Echinococcus granulosus Cyclin dependent kinase 2 associated protein 0.2982 0.304 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0009 0.0011
Loa Loa (eye worm) heterochromatin protein 1 0.0069 0.0047 0.005
Mycobacterium tuberculosis Conserved protein 0.0043 0.0021 0.0191
Entamoeba histolytica hypothetical protein 0.0035 0.0013 0.1347
Brugia malayi amine oxidase, flavin-containing family protein 0.0083 0.0061 0.0056
Schistosoma mansoni heat shock protein 0.0035 0.0013 0.0008
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0185 0.0166 0.0195
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0115 0.0095 1
Brugia malayi serine/threonine-protein kinase plk-2 0.0115 0.0095 0.0089
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0009 0.0011
Schistosoma mansoni hypothetical protein 0.0337 0.0323 0.0386
Echinococcus multilocularis L aminoadipate semialdehyde 0.0082 0.006 0.0181
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0055 0.0033 0.0091
Plasmodium vivax endoplasmin, putative 0.0035 0.0013 0.2083
Loa Loa (eye worm) transcription factor SMAD2 0.0238 0.0221 0.0262
Leishmania major heat shock protein 83-1 0.0035 0.0013 0.1354
Echinococcus granulosus lysine specific histone demethylase 1A 0.0083 0.0061 0.0185
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.1094 0.11 1
Trichomonas vaginalis CAMK family protein kinase 0.0115 0.0095 1
Echinococcus multilocularis chromobox protein 1 0.0069 0.0047 0.0137
Trypanosoma cruzi polo-like protein kinase, putative 0.0115 0.0095 1
Leishmania major heat shock protein 83-1 0.0035 0.0013 0.1354
Loa Loa (eye worm) hypothetical protein 0.003 0.0007 0.0002
Loa Loa (eye worm) MH2 domain-containing protein 0.0238 0.0221 0.0262
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0041 0.0018 0.1948
Trypanosoma brucei heat shock protein, putative 0.0035 0.0013 0.1354
Loa Loa (eye worm) beta-lactamase 0.0043 0.0021 0.0019
Loa Loa (eye worm) hypothetical protein 0.0043 0.0021 0.0019
Plasmodium vivax aspartyl proteinase, putative 0.0055 0.0033 0.5369
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0028 0.0005 0.0569
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0083 0.0061 0.0185
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0083 0.0061 1
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0019 0.161
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0009 0.0011
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0021 0.0177
Loa Loa (eye worm) hypothetical protein 0.0043 0.0021 0.0019
Echinococcus granulosus heat shock protein 0.0035 0.0013 0.0024
Echinococcus granulosus chromobox protein 1 0.0069 0.0047 0.0137
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0021 0.1851
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0021 0.0191
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.0012 0.0022
Brugia malayi beta-lactamase family protein 0.0043 0.0021 0.0015
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0021 0.3419
Loa Loa (eye worm) hypothetical protein 0.0031 0.0009 0.0003
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0021 0.0015
Echinococcus granulosus neuropeptide receptor A26 0.0455 0.0444 0.1445
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0033 0.0033
Trichomonas vaginalis sucrase-isomaltase, putative 0.0041 0.0018 0.1563
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0033 0.0091
Echinococcus multilocularis protoporphyrinogen oxidase 0.0083 0.0061 0.0185
Echinococcus granulosus chromobox protein 1 0.0069 0.0047 0.0137
Schistosoma mansoni jumonji domain containing protein 0.0075 0.0053 0.0058
Entamoeba histolytica heat shock protein 90, putative 0.0035 0.0013 0.1354
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0041 0.0019 0.0016
Toxoplasma gondii histone lysine-specific demethylase 0.0083 0.0061 1
Trichomonas vaginalis chromobox protein, putative 0.0069 0.0047 0.4709
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0115 0.0095 0.0294
Plasmodium falciparum plasmepsin IV 0.0055 0.0033 0.5369
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0006 0.0001
Leishmania major heat shock protein 83-1 0.0035 0.0013 0.1354
Schistosoma mansoni heat shock protein 0.0035 0.0013 0.0008
Trichomonas vaginalis CAMK family protein kinase 0.0115 0.0095 1
Entamoeba histolytica hypothetical protein 0.0035 0.0013 0.1347
Leishmania major heat shock protein 83-1 0.0035 0.0013 0.1354
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0041 0.0019 0.0016
Schistosoma mansoni endoplasmin 0.0035 0.0013 0.0008
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0021 0.0052
Trypanosoma brucei heat shock protein, putative 0.0035 0.0013 0.1354
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0009 0.0003
Brugia malayi Endoplasmin precursor 0.0035 0.0013 0.0007
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0041 0.0018 0.2996
Leishmania major heat shock protein 83-1 0.0035 0.0013 0.1354
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0009 0.0011
Schistosoma mansoni alpha-glucosidase 0.0159 0.014 0.0163
Trypanosoma brucei Heat shock protein 83, putative 0.0035 0.0013 0.1354
Onchocerca volvulus Diphthamide biosynthesis protein 7 homolog 0.2982 0.304 1
Trichomonas vaginalis heat shock protein, putative 0.0028 0.0005 0.0118
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0006 0.0949
Loa Loa (eye worm) hypothetical protein 0.0043 0.0021 0.0019
Echinococcus granulosus L aminoadipate semialdehyde 0.0082 0.006 0.0181
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0028 0.0005 0.0049

Activities

Activity type Activity value Assay description Source Reference
Max_Activity_Concent (functional) 12 uM PubChem BioAssay. Thermal shift assay to identify compound binding to Kelch domain of Keap1 protein Measured in Biochemical System Using RT-PCR - 2119-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.7079 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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