Detailed information for compound 147516

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 455.871 | Formula: C22H20ClN4O5-
  • H donors: 2 H acceptors: 4 LogP: 0.77 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCC(=O)OC1(CC)C(=O)OCc2c1cc1c3nc4ccc(cc4cc3Cn1c2=O)N.[Cl-]
  • InChi: 1S/C22H20N4O5.ClH/c1-2-22(31-18(27)8-23)15-7-17-19-12(5-11-6-13(24)3-4-16(11)25-19)9-26(17)20(28)14(15)10-30-21(22)29;/h3-7H,2,8-10,23-24H2,1H3;1H/p-1
  • InChiKey: HIHGKRRNGVRIJD-UHFFFAOYSA-M  


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
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0045 0.0201 0.0952
Brugia malayi hypothetical protein 0.004 0.0167 0.0639
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0041 0.0175 0.0215
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0048 0.1945
Trypanosoma brucei Aminopeptidase M1, putative 0.0035 0.0139 0.5641
Echinococcus granulosus GPCR family 2 0.0035 0.0139 0.0659
Trypanosoma brucei PAB1-binding protein , putative 0.0053 0.0247 1
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0045 0.0201 0.0247
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0145 0.0121
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.019 0.109 0.129
Schistosoma mansoni tar DNA-binding protein 0.0128 0.0708 0.3747
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0145 0.0179
Plasmodium falciparum ornithine aminotransferase 0.019 0.109 1
Onchocerca volvulus 0.0036 0.0145 0.0487
Echinococcus granulosus dna polymerase eta 0.0047 0.0211 0.1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0048 0.1945
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0048 0.1945
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0018 0.0736
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0145 0.5889
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0018 0.0018
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.1337 0.8122 1
Mycobacterium ulcerans hypothetical protein 0.1337 0.8122 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.0211 0.0808
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0015 0.0018 0.0736
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0155 0.6283
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.019 0.109 0.4173
Loa Loa (eye worm) MH2 domain-containing protein 0.0123 0.0678 0.2596
Echinococcus multilocularis geminin 0.0165 0.0935 0.0935
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.0247 1
Trypanosoma brucei glucosidase, putative 0.0038 0.0155 0.6283
Loa Loa (eye worm) hypothetical protein 0.0053 0.0248 0.0948
Echinococcus multilocularis dna polymerase eta 0.0047 0.0211 0.0211
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0035 0.0139 0.0532
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0175 0.7078
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0045 0.0201 0.0952
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0048 0.1945
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0018 0.0736
Onchocerca volvulus Huntingtin homolog 0.0128 0.0709 0.2376
Trypanosoma brucei glycosyl hydrolase-like protein 0.0014 0.001 0.0421
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0155 0.0191
Echinococcus granulosus geminin 0.0165 0.0935 0.4433
Brugia malayi mbt repeat family protein 0.0053 0.0248 0.0948
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0045 0.0201 0.0201
Mycobacterium ulcerans L-lysine aminotransferase 0.019 0.109 0.129
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.019 0.109 0.1322
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0145 0.5889
Trypanosoma cruzi Aminopeptidase M1, putative 0.0035 0.0139 0.5641
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.001 0.0392
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0128 0.0708 0.0708
Trichomonas vaginalis alpha-glucosidase, putative 0.0014 0.001 0.0013
Leishmania major hypothetical protein, conserved 0.0036 0.0145 0.2052
Echinococcus multilocularis ornithine aminotransferase 0.019 0.109 0.109
Schistosoma mansoni transcription factor LCR-F1 0.004 0.0167 0.0883
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0145 0.0557
Mycobacterium ulcerans aldehyde dehydrogenase 0.0128 0.0708 0.0818
Brugia malayi hypothetical protein 0.0053 0.0247 0.0945
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.0048 0.0059
Mycobacterium tuberculosis Conserved protein 0.0036 0.0145 0.0157
Loa Loa (eye worm) RNA binding protein 0.0128 0.0708 0.271
Leishmania major DNA polymerase eta, putative 0.0033 0.0126 0.1777
Mycobacterium tuberculosis Probable aminotransferase 0.1337 0.8122 1
Schistosoma mansoni hypothetical protein 0.0165 0.0935 0.4951
Loa Loa (eye worm) hypothetical protein 0.0036 0.0145 0.0557
Mycobacterium leprae PROBABLE GLUTAMATE-1-SEMIALDEHYDE 2,1-AMINOMUTASE HEML (GSA) (GLUTAMATE-1-SEMIALDEHYDE AMINOTRANSFERASE) (GSA-AT) 0.019 0.109 0.1184
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0035 0.0139 0.0737
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0045 0.0201 0.0952
Schistosoma mansoni hypothetical protein 0.0035 0.0139 0.0736
Mycobacterium ulcerans hypothetical protein 0.0036 0.0145 0.0121
Trichomonas vaginalis alpha-glucosidase, putative 0.0014 0.001 0.0013
Trichomonas vaginalis maltase-glucoamylase, putative 0.0038 0.0155 0.0191
Leishmania major DNA polymerase eta, putative 0.0047 0.0211 0.2979
Echinococcus multilocularis aminopeptidase N 0.0035 0.0139 0.0139
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0145 0.1334
Brugia malayi hypothetical protein 0.0034 0.0133 0.0508
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.0048 0.0037
Loa Loa (eye worm) hypothetical protein 0.0052 0.0244 0.0936
Loa Loa (eye worm) hypothetical protein 0.0063 0.031 0.1187
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.006 0.0292 0.112
Loa Loa (eye worm) hypothetical protein 0.0053 0.0247 0.0945
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0063 0.031 0.031
Trypanosoma cruzi aminopeptidase, putative 0.0045 0.0201 0.8136
Echinococcus granulosus tumor protein p63 0.0356 0.211 1
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0145 0.0179
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0145 0.0179
Loa Loa (eye worm) hypothetical protein 0.0076 0.0388 0.1486
Echinococcus multilocularis isocitrate dehydrogenase 0.0015 0.0018 0.0018
Leishmania major alpha glucosidase II subunit, putative 0.0038 0.0155 0.2189
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0045 0.0201 0.1063
Mycobacterium ulcerans aldehyde dehydrogenase 0.0128 0.0708 0.0818
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0045 0.0201 0.8136
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0145 0.0157
Loa Loa (eye worm) hypothetical protein 0.0036 0.0145 0.0557
Schistosoma mansoni family M1 non-peptidase homologue (M01 family) 0.0023 0.0064 0.0337
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0014 0.001 0.0421
Loa Loa (eye worm) hypothetical protein 0.006 0.0292 0.112
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0053 0.0248 0.083
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.0247 0.2265
Entamoeba histolytica aminopeptidase, putative 0.0045 0.0201 1
Onchocerca volvulus 0.0036 0.0145 0.0487
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.019 0.109 0.129
Mycobacterium tuberculosis Conserved protein 0.0036 0.0145 0.0157
Loa Loa (eye worm) hypothetical protein 0.0036 0.0145 0.0557
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0045 0.0201 0.2835
Schistosoma mansoni alpha-glucosidase 0.0146 0.0819 0.4336
Brugia malayi Isocitrate dehydrogenase 0.0015 0.0018 0.007
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.0167 0.0167
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0018 0.0257
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.006 0.0292 0.0292
Trypanosoma cruzi DNA polymerase eta, putative 0.0033 0.0126 0.5098
Onchocerca volvulus 0.0052 0.0244 0.0819
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.019 0.109 0.1322
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0045 0.0201 0.0201
Schistosoma mansoni hypothetical protein 0.0035 0.0139 0.0736
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0048 0.0254
Trypanosoma brucei unspecified product 0.0014 0.001 0.0392
Loa Loa (eye worm) MBCTL1 0.006 0.0292 0.112
Brugia malayi Latrophilin receptor protein 2 0.0035 0.0139 0.0532
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0192 0.11 0.5821
Brugia malayi Inositol-1 0.0041 0.0175 0.0669
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.0048 0.0678
Loa Loa (eye worm) isocitrate dehydrogenase 0.0015 0.0018 0.007
Mycobacterium tuberculosis Possible penicillin-binding protein 0.023 0.1336 0.1626
Schistosoma mansoni myelin transcription factor 1 myt1 0.006 0.0292 0.1548
Echinococcus multilocularis lysosomal alpha glucosidase 0.017 0.0964 0.0964
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0063 0.031 0.031
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.031 0.164
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0018 0.0018
Echinococcus multilocularis Aminotransferase class III 0.019 0.109 0.109
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0015 0.0018 0.0096
Brugia malayi mbt repeat family protein 0.0053 0.0248 0.0948
Brugia malayi beta-lactamase family protein 0.0036 0.0145 0.0557
Echinococcus multilocularis neutral alpha glucosidase AB 0.0038 0.0155 0.0155
Brugia malayi N-terminal motif family protein 0.0175 0.0995 0.381
Echinococcus multilocularis polycomb protein SCMH1 0.0053 0.0248 0.0248
Brugia malayi RNA binding protein 0.0128 0.0708 0.271
Onchocerca volvulus Huntingtin homolog 0.0128 0.0709 0.2376
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0061 0.0296 0.1402
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0022 0.0062 0.0292
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0128 0.0708 1
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0035 0.0139 0.1966
Toxoplasma gondii aldehyde dehydrogenase 0.0128 0.0708 0.65
Mycobacterium ulcerans aminopeptidase N PepN 0.0045 0.0201 0.0189
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0041 0.0175 0.1603
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0038 0.0155 0.0191
Schistosoma mansoni alpha glucosidase 0.0038 0.0155 0.0821
Mycobacterium ulcerans acetylornithine aminotransferase 0.019 0.109 0.129
Schistosoma mansoni tar DNA-binding protein 0.0128 0.0708 0.3747
Brugia malayi follicle stimulating hormone receptor 0.0232 0.1346 0.5152
Schistosoma mansoni hypothetical protein 0.0024 0.0069 0.0366
Loa Loa (eye worm) hypothetical protein 0.0036 0.0145 0.0557
Trichomonas vaginalis conserved hypothetical protein 0.0191 0.1093 0.1346
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0145 0.0157
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0048 0.1945
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0145 0.0157
Echinococcus granulosus histone acetyltransferase MYST2 0.006 0.0292 0.1386
Onchocerca volvulus 0.0036 0.0145 0.0487
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0022 0.0062 0.0292
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0048 0.0048
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0035 0.0139 0.0139
Mycobacterium leprae Probable Acetylornithine aminotransferase ArgD 0.019 0.109 0.1184
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.019 0.109 0.5
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0014 0.001 0.0013
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0192 0.11 0.11
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0048 0.1945
Brugia malayi TAR-binding protein 0.0128 0.0708 0.271
Loa Loa (eye worm) mbt repeat family protein 0.0053 0.0248 0.0948
Echinococcus granulosus neutral alpha glucosidase AB 0.0038 0.0155 0.0735
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.019 0.109 0.1322
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0035 0.0139 0.0659
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0041 0.0175 0.0157
Schistosoma mansoni sex comb on midleg homolog 0.0053 0.0248 0.1311
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0045 0.0201 0.0952
Schistosoma mansoni tar DNA-binding protein 0.0128 0.0708 0.3747
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.019 0.109 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0063 0.031 0.164
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0145 0.5889
Brugia malayi Peptidase family M1 containing protein 0.0035 0.0139 0.0533
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0145 0.077
Schistosoma mansoni hypothetical protein 0.0035 0.0139 0.0736
Loa Loa (eye worm) hypothetical protein 0.0036 0.0145 0.0557
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0145 0.0121
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0128 0.0708 0.3358
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.0247 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0014 0.001 0.0013
Onchocerca volvulus 0.0053 0.0248 0.083
Trypanosoma brucei DNA polymerase eta, putative 0.0047 0.0211 0.8549
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0128 0.0708 0.271
Mycobacterium leprae Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM 0.019 0.109 0.1184
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0024 0.0069 0.0327
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0192 0.11 0.5821
Schistosoma mansoni hypothetical protein 0.032 0.1889 1
Schistosoma mansoni tar DNA-binding protein 0.0128 0.0708 0.3747
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0204 0.1178 0.1178
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0038 0.0155 0.0594
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0145 0.0179
Trichomonas vaginalis sucrase-isomaltase, putative 0.0038 0.0155 0.0191
Loa Loa (eye worm) beta-lactamase 0.0036 0.0145 0.0557
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0018 0.0018
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.1337 0.8122 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0192 0.11 0.4211
Echinococcus granulosus dna polymerase kappa 0.002 0.0048 0.0228
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.0167 0.0791
Schistosoma mansoni sex comb on midleg homolog 0.0053 0.0248 0.1311
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0048 0.1945
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.019 0.109 0.1322
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0048 0.1945
Schistosoma mansoni hypothetical protein 0.0035 0.0139 0.0736
Echinococcus granulosus aminopeptidase N 0.0035 0.0139 0.066
Trypanosoma brucei unspecified product 0.002 0.0048 0.1945
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0048 0.1945
Mycobacterium ulcerans aminopeptidase N PepN 0.0022 0.0062 0.0017
Mycobacterium ulcerans lipase LipD 0.0036 0.0145 0.0121
Onchocerca volvulus 0.0499 0.2983 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0145 0.0557
Brugia malayi Glycosyl hydrolases family 31 protein 0.017 0.0964 0.3691
Brugia malayi isocitrate dehydrogenase 0.0015 0.0018 0.007
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.0247 0.2265
Loa Loa (eye worm) hypothetical protein 0.0023 0.0064 0.0244
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0128 0.0708 0.0852
Schistosoma mansoni hypothetical protein 0.0076 0.0388 0.2054
Echinococcus multilocularis histone acetyltransferase MYST2 0.006 0.0292 0.0292
Loa Loa (eye worm) hypothetical protein 0.0023 0.0064 0.0244
Loa Loa (eye worm) hypothetical protein 0.028 0.1642 0.6286
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0041 0.0175 0.8628
Loa Loa (eye worm) transcription factor SMAD2 0.0123 0.0678 0.2596
Schistosoma mansoni DNA polymerase eta 0.0047 0.0211 0.1117
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0145 0.0557
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0033 0.0125 0.0125
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0015 0.0018 0.0167
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0145 0.077
Brugia malayi Calcitonin receptor-like protein seb-1 0.0111 0.0603 0.2307
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0145 0.0179
Plasmodium vivax ataxin-2 like protein, putative 0.0053 0.0247 0.2265
Brugia malayi ImpB/MucB/SamB family protein 0.0047 0.0211 0.0808
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.1337 0.8122 1
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0048 0.1945
Schistosoma mansoni tar DNA-binding protein 0.0128 0.0708 0.3747
Leishmania major DNA polymerase kappa, putative 0.002 0.0048 0.0678
Trichomonas vaginalis alpha-glucosidase, putative 0.0014 0.001 0.0013
Brugia malayi RNA recognition motif domain containing protein 0.0128 0.0708 0.271
Brugia malayi hypothetical protein 0.0151 0.0852 0.3261
Schistosoma mansoni alpha-glucosidase 0.0146 0.0819 0.4336
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.0048 0.0037
Brugia malayi beta-lactamase family protein 0.0036 0.0145 0.0557
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0145 0.0689
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0192 0.11 0.5212
Giardia lamblia DINP protein human, muc B family 0.002 0.0048 0.5
Plasmodium vivax SET domain protein, putative 0.0063 0.031 0.2843
Plasmodium vivax ornithine aminotransferase, putative 0.019 0.109 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0192 0.11 0.5212
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0175 0.7078
Brugia malayi hypothetical protein 0.0035 0.0139 0.0533
Toxoplasma gondii isocitrate dehydrogenase 0.0015 0.0018 0.0167
Brugia malayi hypothetical protein 0.0128 0.0709 0.2713
Brugia malayi Glycosyl hydrolases family 31 protein 0.0014 0.001 0.004
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0145 0.0145
Trichomonas vaginalis set domain proteins, putative 0.0499 0.2983 0.3673
Brugia malayi Glycosyl hydrolases family 31 protein 0.0038 0.0155 0.0594
Mycobacterium tuberculosis Conserved protein 0.0036 0.0145 0.0157
Schistosoma mansoni inositol monophosphatase 0.0041 0.0175 0.0925
Leishmania major hypothetical protein, conserved 0.0053 0.0247 0.3485
Loa Loa (eye worm) inositol-1 0.0041 0.0175 0.0669
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.031 0.164
Schistosoma mansoni ornithine--oxo-acid transaminase 0.019 0.109 0.5769
Trichomonas vaginalis inositol monophosphatase, putative 0.0041 0.0175 0.0215
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0015 0.0018 0.0167
Loa Loa (eye worm) hypothetical protein 0.0151 0.0852 0.3261
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0175 0.0995 0.3336
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0048 0.1945
Toxoplasma gondii LsmAD domain-containing protein 0.0053 0.0247 0.2265
Echinococcus granulosus inositol monophosphatase 1 0.0041 0.0175 0.0828
Echinococcus granulosus ornithine aminotransferase 0.019 0.109 0.5165
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0208 0.1198 0.5678
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.001 0.0392
Echinococcus multilocularis inositol monophosphatase 1 0.0041 0.0175 0.0175
Schistosoma mansoni aldehyde dehydrogenase 0.0128 0.0708 0.375
Loa Loa (eye worm) aminopeptidase N 0.0045 0.0201 0.0769
Loa Loa (eye worm) hypothetical protein 0.0035 0.0139 0.0532
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0155 0.6283
Brugia malayi Pre-SET motif family protein 0.0438 0.2612 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0192 0.11 0.5821
Echinococcus granulosus SAM and MBT domain containing protein 0.0053 0.0248 0.1174
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0045 0.0201 0.0201
Echinococcus granulosus tar DNA binding protein 0.0128 0.0708 0.3355
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0155 0.0191
Onchocerca volvulus 0.0035 0.0139 0.0467
Loa Loa (eye worm) hypothetical protein 0.0128 0.0709 0.2713
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0192 0.11 0.11
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0145 0.0157
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0048 0.1945
Loa Loa (eye worm) hypothetical protein 0.0175 0.0995 0.381
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.019 0.109 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.0048 0.0059
Trichomonas vaginalis maltase-glucoamylase, putative 0.0014 0.001 0.0013
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0015 0.0018 0.0086
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0438 0.2612 1
Onchocerca volvulus 0.0151 0.0852 0.2855
Toxoplasma gondii ABC1 family protein 0.0036 0.0145 0.1334
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0053 0.0248 0.1311
Loa Loa (eye worm) TAR-binding protein 0.0128 0.0708 0.271
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0037 0.0149 0.0161
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0155 0.0191
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.1337 0.8122 1
Trichomonas vaginalis esterase, putative 0.0036 0.0145 0.0179
Toxoplasma gondii isocitrate dehydrogenase 0.0015 0.0018 0.0167
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.028 0.1642 0.6286
Echinococcus granulosus Aminotransferase class III 0.019 0.109 0.5165
Brugia malayi Pre-SET motif family protein 0.0063 0.031 0.1187
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.031 0.164
Entamoeba histolytica deoxycytidyl transferase, putative 0.002 0.0048 0.1975
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0045 0.0201 0.0201
Onchocerca volvulus 0.0063 0.031 0.1039
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0145 0.0157
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0204 0.1178 0.5583
Echinococcus granulosus lysosomal alpha glucosidase 0.017 0.0964 0.4568
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.019 0.109 0.129
Trichomonas vaginalis alpha-glucosidase, putative 0.0014 0.001 0.0013
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0014 0.001 0.0421
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0048 0.0184
Schistosoma mansoni inositol monophosphatase 0.0041 0.0175 0.0925
Loa Loa (eye worm) hypothetical protein 0.0196 0.1126 0.4313
Echinococcus multilocularis tar DNA binding protein 0.0128 0.0708 0.0708
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0145 0.0157
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0048 0.1945
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0155 0.0191
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0155 0.0191
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0023 0.0064 0.2582
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0037 0.0149 0.0004
Loa Loa (eye worm) hypothetical protein 0.0014 0.001 0.004
Schistosoma mansoni cellular tumor antigen P53 0.0052 0.0244 0.1294
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0175 0.2466
Echinococcus multilocularis ornithine aminotransferase 0.019 0.109 0.109
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0045 0.0201 0.0201
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.019 0.109 0.129
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0048 0.0228
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0038 0.0155 0.7598
Echinococcus multilocularis lysosomal alpha glucosidase 0.017 0.0964 0.0964
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0038 0.0155 0.7598
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0048 0.0184
Loa Loa (eye worm) hypothetical protein 0.0023 0.0064 0.0244
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0038 0.0155 0.0191
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0045 0.0201 0.0201
Echinococcus multilocularis dna polymerase kappa 0.002 0.0048 0.0048
Trypanosoma cruzi DNA polymerase eta, putative 0.0047 0.0211 0.8549
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0048 0.1945
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0192 0.11 0.4211
Trypanosoma brucei Aminopeptidase M1, putative 0.0035 0.0139 0.5641
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0145 0.0157
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog 0.0196 0.1126 0.4313
Trypanosoma brucei unspecified product 0.0014 0.001 0.0392
Loa Loa (eye worm) hypothetical protein 0.0128 0.0709 0.2713
Schistosoma mansoni hypothetical protein 0.0165 0.0935 0.4951
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0111 0.0603 0.2307
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0041 0.0175 0.0215
Loa Loa (eye worm) latrophilin receptor protein 2 0.0035 0.0139 0.0532
Entamoeba histolytica hypothetical protein 0.004 0.0167 0.8216
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0232 0.1346 0.5152
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.001 0.0392
Entamoeba histolytica hypothetical protein 0.004 0.0167 0.8216
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0048 0.0254
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0015 0.0018 0.0018
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.017 0.0964 0.3691
Echinococcus multilocularis SAM and MBT domain containing protein 0.0053 0.0248 0.0248
Brugia malayi beta-lactamase 0.0036 0.0145 0.0557
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0048 0.1945
Entamoeba histolytica hypothetical protein 0.004 0.0167 0.8216
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0208 0.1198 0.1198
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0024 0.0069 0.0069
Mycobacterium ulcerans beta-lactamase 0.0036 0.0145 0.0121
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.006 0.0292 0.1386
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0048 0.1945
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0048 0.1945
Entamoeba histolytica hypothetical protein 0.004 0.0167 0.8216
Leishmania major glycosyl hydrolase-like protein 0.0014 0.001 0.0147
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0045 0.0201 0.8136
Onchocerca volvulus 0.0035 0.0139 0.0467
Schistosoma mansoni aldehyde dehydrogenase 0.0128 0.0708 0.375
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0033 0.0126 0.1155
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0038 0.0155 0.1423
Brugia malayi latrophilin 2 splice variant baaae 0.0076 0.0388 0.1486
Onchocerca volvulus 0.0098 0.0526 0.1762
Echinococcus granulosus polycomb protein SCMH1 0.0053 0.0248 0.1174
Echinococcus multilocularis GPCR, family 2 0.0035 0.0139 0.0139
Brugia malayi MH2 domain containing protein 0.0123 0.0678 0.2596
Mycobacterium ulcerans aldehyde dehydrogenase 0.0128 0.0708 0.0818
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0063 0.031 0.2843
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0175 0.7078
Echinococcus granulosus histone lysine methyltransferase setb 0.0063 0.031 0.1469
Echinococcus multilocularis tumor protein p63 0.0356 0.211 0.211
Trichomonas vaginalis alpha-glucosidase, putative 0.0014 0.001 0.0013
Brugia malayi Peptidase family M1 containing protein 0.0045 0.0201 0.0769
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0014 0.001 0.0035
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0015 0.0018 0.0736
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0045 0.0201 0.0247
Schistosoma mansoni hypothetical protein 0.004 0.0167 0.0883

Activities

Activity type Activity value Assay description Source Reference
Cures (functional) = 0 Number of L1210 mice cured after i.v. drug dosing on hours 1 and 5 ChEMBL. 8410981
Highest active dose (functional) = 20 mg kg-1 Highest active dose in L1210 lymphoid leukemic mice at range of 1.25-20 mg/kg after i.v. drug dosing on hours 1 and 5 ChEMBL. 8410981
KE (functional) > 5.97 Log of initial tumor cell population minus log of tumor cell population at end of treatment after i.v. drug dosing on hours 1 and 5 ChEMBL. 8410981
T/C (functional) = 225 % Percent median survival time of treated leukemic mice compared to control ChEMBL. 8410981
Toxic dose (ADMET) 0 mg kg-1 Toxic dose in L1210 murine lymphoid leukemia at 20 mg/kg after i.v. drug dosing on hours 1 and 5; NT means not toxic ChEMBL. 8410981

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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