Detailed information for compound 1095306

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 478.287 | Formula: C16H21Cl2N7O6
  • H donors: 6 H acceptors: 6 LogP: 1.2 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 2
  • SMILES: ONC(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1ccc(cc1Cl)Cl)C)CCCNC(=N)N[N+](=O)[O-]
  • InChi: 1S/C16H21Cl2N7O6/c1-8(21-14(27)10-5-4-9(17)7-11(10)18)13(26)22-12(15(28)24-29)3-2-6-20-16(19)23-25(30)31/h4-5,7-8,12,29H,2-3,6H2,1H3,(H,21,27)(H,22,26)(H,24,28)(H3,19,20,23)/t8-,12-/m0/s1
  • InChiKey: BFONLFXAGOPXCU-UFBFGSQYSA-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 tar DNA-binding protein 0.013 0.2735 0.2735
Echinococcus multilocularis muscleblind protein 1 0.0304 0.6808 0.6808
Echinococcus multilocularis dna polymerase kappa 0.002 0.0149 0.0149
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0149 0.1985
Loa Loa (eye worm) hypothetical protein 0.0015 0.0022 0.0025
Schistosoma mansoni smad1 5 8 and 0.0016 0.006 0.006
Entamoeba histolytica hypothetical protein 0.0024 0.0241 0.3633
Echinococcus granulosus zinc finger protein 0.0023 0.0223 0.0223
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0018 0.01 0.1218
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0018 0.01 0.1218
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.025 0.3811
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0065 0.1198 0.1198
Brugia malayi RNA recognition motif domain containing protein 0.013 0.2735 0.3057
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0065 0.1198 0.1198
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0042 0.0663 1
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0149 0.0167
Loa Loa (eye worm) hypothetical protein 0.003 0.0373 0.0417
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.0621 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0149 0.0149
Schistosoma mansoni aminopeptidase A (M01 family) 0.0015 0.0022 0.0022
Schistosoma mansoni dep domain containing protein 0.0019 0.0131 0.0131
Brugia malayi CXXC zinc finger family protein 0.0031 0.04 0.0447
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0019 0.0132 0.0132
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0027 0.0316 0.476
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.0116 0.0116
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0505 0.7613
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0505 0.7613
Echinococcus multilocularis snurportin 1 0.0318 0.7131 0.7131
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0018 0.01 0.1218
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0718 0.0718
Echinococcus granulosus cytochrome P450 2K1 0.0018 0.01 0.01
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0718 0.0718
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0149 0.2229
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0149 0.2229
Entamoeba histolytica aminopeptidase, putative 0.0042 0.0663 1
Brugia malayi hypothetical protein 0.0025 0.025 0.028
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0042 0.0663 0.0663
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0019 0.0131 0.0131
Brugia malayi exodeoxyribonuclease III family protein 0.004 0.0621 0.0694
Schistosoma mansoni smad1 5 8 and 0.0016 0.006 0.006
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0042 0.0663 0.0663
Loa Loa (eye worm) CYP4Cod1 0.0027 0.0314 0.0351
Loa Loa (eye worm) aminopeptidase N 0.0042 0.0663 0.0741
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.05 0.05
Onchocerca volvulus 0.0086 0.1704 0.1904
Onchocerca volvulus 0.0092 0.1839 0.2055
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0149 0.2254
Loa Loa (eye worm) hypothetical protein 0.0065 0.1198 0.1339
Trichomonas vaginalis ap endonuclease, putative 0.004 0.0621 0.9356
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0718 0.0802
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.03 0.03
Echinococcus multilocularis dnaJ subfamily B 0.044 1 1
Loa Loa (eye worm) hypothetical protein 0.0086 0.1704 0.1904
Loa Loa (eye worm) hypothetical protein 0.0025 0.025 0.028
Echinococcus multilocularis Smad4 0.0016 0.006 0.006
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0018 0.01 0.1218
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0018 0.01 0.1218
Schistosoma mansoni hypothetical protein 0.0065 0.1198 0.1198
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0018 0.01 0.1218
Brugia malayi hypothetical protein 0.0019 0.0131 0.0146
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0018 0.01 0.1218
Loa Loa (eye worm) transcription factor SMAD2 0.0241 0.5334 0.5961
Leishmania major importin beta-1 subunit, putative 0.0024 0.0241 0.3412
Toxoplasma gondii exonuclease III APE 0.004 0.0621 0.5504
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0027 0.0314 0.4554
Plasmodium falciparum importin beta, putative 0.003 0.0373 0.5863
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0066 0.1212 0.1212
Echinococcus multilocularis mothers against decapentaplegic 5 0.0016 0.006 0.006
Brugia malayi RNA binding protein 0.013 0.2735 0.3057
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0015 0.0022 0.0335
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0019 0.0131 0.0146
Trypanosoma cruzi cytochrome P450, putative 0.0027 0.0314 0.4737
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0015 0.0022 0.0022
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0241 0.3633
Loa Loa (eye worm) hypothetical protein 0.0019 0.0131 0.0146
Schistosoma mansoni hypothetical protein 0.0035 0.05 0.05
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0149 0.2229
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0015 0.0022 0.0335
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0149 0.0149
Brugia malayi MH2 domain containing protein 0.0016 0.006 0.0067
Echinococcus multilocularis lysosomal alpha glucosidase 0.0159 0.3417 0.3417
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0024 0.0245 0.348
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0018 0.01 0.1218
Schistosoma mansoni smad1 5 8 and 0.0016 0.006 0.006
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0018 0.01 0.1218
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0131 0.0131
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0015 0.0022 0.0022
Echinococcus granulosus regulator of G protein signaling 7 0.0019 0.0131 0.0131
Echinococcus multilocularis regulator of G protein signaling 7 0.0019 0.0131 0.0131
Schistosoma mansoni hypothetical protein 0.0065 0.1198 0.1198
Echinococcus granulosus tar DNA binding protein 0.013 0.2735 0.2735
Brugia malayi hypothetical protein 0.0015 0.0022 0.0025
Trichomonas vaginalis ap endonuclease, putative 0.004 0.0621 0.9356
Echinococcus granulosus muscleblind protein 0.0304 0.6808 0.6808
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.03 0.03
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0042 0.0663 0.0663
Brugia malayi hypothetical protein 0.0042 0.0663 0.0741
Echinococcus granulosus dna polymerase eta 0.002 0.0149 0.0149
Loa Loa (eye worm) hypothetical protein 0.0205 0.449 0.5017
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0018 0.01 0.1513
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0018 0.01 0.1218
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0019 0.0131 0.0146
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.0149 0.2254
Leishmania major phosphopantetheinyl transferase-like protein 0.0024 0.0245 0.348
Onchocerca volvulus 0.0042 0.0663 0.0741
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0718 0.0718
Schistosoma mansoni hypothetical protein 0.0065 0.1198 0.1198
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0019 0.0132 0.0132
Schistosoma mansoni hypothetical protein 0.0018 0.01 0.01
Brugia malayi RNA, U transporter 1 0.0085 0.1661 0.1856
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.03 0.03
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.004 0.0621 0.0621
Loa Loa (eye worm) MH2 domain-containing protein 0.0016 0.006 0.0067
Trypanosoma brucei hypothetical protein, conserved 0.0024 0.0245 0.3679
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.004 0.0621 0.9333
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.004 0.0621 0.9356
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0042 0.0663 1
Brugia malayi Importin beta-1 subunit 0.003 0.0373 0.0417
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0024 0.0245 0.348
Brugia malayi MH2 domain containing protein 0.0016 0.006 0.0067
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0018 0.01 0.1218
Echinococcus granulosus regulator of G protein signaling 7 0.0019 0.0131 0.0131
Echinococcus multilocularis segment polarity protein dishevelled 0.0019 0.0131 0.0131
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0149 0.0167
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0505 0.7613
Schistosoma mansoni tar DNA-binding protein 0.013 0.2735 0.2735
Entamoeba histolytica hypothetical protein 0.0035 0.05 0.7542
Loa Loa (eye worm) bromodomain containing protein 0.0019 0.0132 0.0148
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0241 0.3633
Schistosoma mansoni tar DNA-binding protein 0.013 0.2735 0.2735
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0018 0.01 0.1218
Echinococcus multilocularis 0.0018 0.01 0.01
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0241 0.3633
Brugia malayi hypothetical protein 0.0019 0.0131 0.0146
Trypanosoma cruzi Aminopeptidase M1, putative 0.0042 0.0663 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0042 0.0663 0.0663
Schistosoma mansoni Smad4 0.0016 0.006 0.006
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0015 0.0022 0.0022
Toxoplasma gondii hypothetical protein 0.0019 0.0131 0.1001
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0042 0.0663 0.0663
Entamoeba histolytica hypothetical protein 0.0024 0.0245 0.3699
Brugia malayi TAR-binding protein 0.013 0.2735 0.3057
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0086 0.1704 0.1704
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.025 0.3811
Leishmania major cytochrome p450-like protein 0.0018 0.01 0.1218
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0149 0.2229
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0718 0.0718
Loa Loa (eye worm) hypothetical protein 0.0015 0.0022 0.0025
Brugia malayi DIX domain containing protein 0.0019 0.0131 0.0146
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0505 0.7613
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0018 0.01 0.1486
Loa Loa (eye worm) cytochrome P450 0.0018 0.01 0.0112
Loa Loa (eye worm) hypothetical protein 0.0019 0.0131 0.0146
Trypanosoma brucei Aminopeptidase M1, putative 0.0042 0.0663 1
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0024 0.0245 0.2787
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0159 0.3417 0.3818
Brugia malayi PHD-finger family protein 0.0029 0.0361 0.0403
Loa Loa (eye worm) hypothetical protein 0.014 0.2966 0.3315
Toxoplasma gondii HEAT repeat-containing protein 0.003 0.0373 0.3227
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0373 0.561
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0018 0.01 0.1513
Leishmania major DNA polymerase eta, putative 0.002 0.0149 0.1985
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0149 0.1985
Trichomonas vaginalis maltase-glucoamylase, putative 0.0035 0.0505 0.7613
Schistosoma mansoni cytochrome P450 0.0018 0.01 0.01
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.0149 0.0945
Schistosoma mansoni ap endonuclease 0.004 0.0621 0.0621
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.0621 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0149 0.0167
Echinococcus granulosus L aminoadipate semialdehyde 0.0086 0.1704 0.1704
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.025 0.2097
Schistosoma mansoni smad 0.0016 0.006 0.006
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0018 0.01 0.1218
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0019 0.0131 0.0146
Trypanosoma brucei cytochrome P450, putative 0.0027 0.0314 0.472
Leishmania major cytochrome p450-like protein 0.0027 0.0314 0.4554
Loa Loa (eye worm) hypothetical protein 0.0304 0.6808 0.7608
Entamoeba histolytica hypothetical protein 0.0035 0.05 0.7542
Schistosoma mansoni tar DNA-binding protein 0.013 0.2735 0.2735
Brugia malayi MH2 domain containing protein 0.0241 0.5334 0.5961
Loa Loa (eye worm) hypothetical protein 0.0395 0.8948 1
Echinococcus granulosus GPCR family 2 0.0065 0.1198 0.1198
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0241 0.3633
Loa Loa (eye worm) DIX domain-containing protein 0.0019 0.0131 0.0146
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.05 0.05
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0015 0.0022 0.0022
Brugia malayi cytochrome P450 0.0018 0.01 0.0112
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0086 0.1704 0.1904
Brugia malayi Peptidase family M1 containing protein 0.0042 0.0663 0.0741
Trypanosoma cruzi DNA polymerase eta, putative 0.002 0.0149 0.2254
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0035 0.0505 0.444
Loa Loa (eye worm) MH2 domain-containing protein 0.0241 0.5334 0.5961
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0149 0.2229
Loa Loa (eye worm) TAR-binding protein 0.013 0.2735 0.3057
Onchocerca volvulus 0.0015 0.0022 0.0025
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0718 0.0718
Echinococcus granulosus segment polarity protein dishevelled 0.0019 0.0131 0.0131
Echinococcus multilocularis smad 0.0016 0.006 0.006
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0024 0.0245 0.2052
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0395 0.8948 1
Trypanosoma cruzi cytochrome P450, putative 0.0027 0.0314 0.4737
Trypanosoma brucei aminopeptidase, putative 0.0015 0.0022 0.0304
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0015 0.0022 0.0335
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0068 0.1262 0.1262
Schistosoma mansoni zinc finger protein 0.0017 0.0071 0.0071
Echinococcus multilocularis tar DNA binding protein 0.013 0.2735 0.2735
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.0149 0.1985
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0042 0.0663 0.0663
Loa Loa (eye worm) hypothetical protein 0.0049 0.082 0.0917
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0149 0.2229
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0149 0.2229
Loa Loa (eye worm) hypothetical protein 0.0128 0.2686 0.3001
Schistosoma mansoni dishevelled 0.0019 0.0131 0.0131
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0015 0.0022 0.0025
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0149 0.0167
Echinococcus granulosus aminopeptidase N 0.0143 0.3033 0.3033
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0016 0.006 0.006
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0042 0.0663 0.0663
Brugia malayi Cytochrome P450 family protein 0.0018 0.01 0.0112
Echinococcus multilocularis segment polarity protein dishevelled 0.0019 0.0131 0.0131
Schistosoma mansoni cpg binding protein 0.0035 0.049 0.049
Schistosoma mansoni bromodomain containing protein 0.0072 0.1354 0.1354
Schistosoma mansoni dishevelled 0.0019 0.0131 0.0131
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0149 0.2254
Echinococcus multilocularis neutral alpha glucosidase AB 0.0035 0.0505 0.0505
Loa Loa (eye worm) MH1 domain-containing protein 0.0016 0.006 0.0067
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0149 0.0149
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0065 0.1198 0.1339
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.004 0.0621 0.9356
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0016 0.006 0.006
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0505 0.7613
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0149 0.2229
Loa Loa (eye worm) cytochrome P450 family protein 0.0027 0.0314 0.0351
Mycobacterium ulcerans aminopeptidase N PepN 0.0042 0.0663 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.0729 0.0815
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0019 0.0116 0.0116
Trypanosoma brucei glucosidase, putative 0.0035 0.0505 0.7605
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0015 0.0022 0.0335
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.025 0.3773
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0015 0.0022 0.0335
Schistosoma mansoni alpha-glucosidase 0.0137 0.2896 0.2896
Trypanosoma brucei Aminopeptidase M1, putative 0.0042 0.0663 1
Schistosoma mansoni z-protein (S1r protein) 0.0019 0.0131 0.0131
Trypanosoma brucei ISWI complex protein 0.0017 0.0071 0.1038
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.013 0.2735 0.3057
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.004 0.0621 1
Schistosoma mansoni zinc finger protein 0.0023 0.0223 0.0223
Schistosoma mansoni DNA polymerase eta 0.002 0.0149 0.0149
Echinococcus granulosus neutral alpha glucosidase AB 0.0035 0.0505 0.0505
Trichomonas vaginalis sucrase-isomaltase, putative 0.0035 0.0505 0.7613
Schistosoma mansoni tar DNA-binding protein 0.013 0.2735 0.2735
Brugia malayi Cytochrome P450 family protein 0.0027 0.0314 0.0351
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0018 0.01 0.1218
Loa Loa (eye worm) Smad1 0.0016 0.006 0.0067
Schistosoma mansoni hypothetical protein 0.0318 0.7131 0.7131
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0205 0.449 0.5017
Echinococcus multilocularis L aminoadipate semialdehyde 0.0086 0.1704 0.1704
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0149 0.2229
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0149 0.2229
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0718 0.0802
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0015 0.0022 0.0022
Brugia malayi Cytochrome P450 family protein 0.0027 0.0314 0.0351
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0035 0.0505 0.0564
Brugia malayi MH1 domain containing protein 0.0016 0.006 0.0067
Schistosoma mansoni ap endonuclease 0.004 0.0621 0.0621
Echinococcus multilocularis cpg binding protein 0.0035 0.049 0.049
Loa Loa (eye worm) hypothetical protein 0.0042 0.0668 0.0747
Echinococcus multilocularis muscleblind protein 0.0304 0.6808 0.6808
Trypanosoma cruzi ISWI complex protein 0.0017 0.0071 0.1066
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0024 0.0245 0.3729
Leishmania major hypothetical protein, conserved 0.0017 0.0071 0.0757
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.004 0.0621 0.9354
Schistosoma mansoni family M1 non-peptidase homologue (M01 family) 0.0027 0.0316 0.0316
Loa Loa (eye worm) RNA binding protein 0.013 0.2735 0.3057
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0042 0.0663 1
Echinococcus multilocularis dna polymerase eta 0.002 0.0149 0.0149
Toxoplasma gondii cytochrome p450 superfamily protein 0.0018 0.01 0.0718
Leishmania major cytochrome p450-like protein 0.0018 0.01 0.1218
Leishmania major hypothetical protein, conserved 0.0025 0.025 0.3557
Loa Loa (eye worm) hypothetical protein 0.0101 0.2045 0.2285
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0018 0.01 0.1513
Brugia malayi Glycosyl hydrolases family 31 protein 0.0159 0.3417 0.3818
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0149 0.2254
Entamoeba histolytica hypothetical protein 0.0035 0.05 0.7542
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0018 0.01 0.1218
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0318 0.7131 0.7969
Echinococcus multilocularis GPCR, family 2 0.0065 0.1198 0.1198
Schistosoma mansoni cpg binding protein 0.0031 0.04 0.04
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0027 0.0316 0.0316
Brugia malayi Peptidase family M1 containing protein 0.0015 0.0022 0.0025
Brugia malayi Bromodomain containing protein 0.0085 0.1658 0.1853
Brugia malayi hypothetical protein 0.0016 0.0046 0.0052
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0505 0.7613
Brugia malayi TATA binding protein associated factor 0.0015 0.0022 0.0025
Loa Loa (eye worm) PHD-finger family protein 0.0023 0.0209 0.0233
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0018 0.01 0.1218
Brugia malayi Cytochrome P450 family protein 0.0058 0.1032 0.1153
Echinococcus granulosus cpg binding protein 0.0035 0.049 0.049
Brugia malayi latrophilin 2 splice variant baaae 0.014 0.2966 0.3315
Brugia malayi Bromodomain containing protein 0.0042 0.0666 0.0745
Loa Loa (eye worm) CXXC zinc finger family protein 0.0031 0.04 0.0447
Brugia malayi MH1 domain containing protein 0.0016 0.006 0.0067
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.0149 0.0945
Echinococcus granulosus lysosomal alpha glucosidase 0.0159 0.3417 0.3417
Schistosoma mansoni cpg binding protein 0.0035 0.049 0.049
Leishmania major DNA polymerase kappa, putative 0.002 0.0149 0.1985
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.025 0.3811
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0019 0.0132 0.0132
Brugia malayi Latrophilin receptor protein 2 0.0065 0.1198 0.1339
Echinococcus granulosus TGF beta signal transducer SmadC 0.0016 0.006 0.006
Trypanosoma cruzi ISWI complex protein 0.0017 0.0071 0.1066
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0068 0.1262 0.1262
Echinococcus granulosus histone lysine methyltransferase setb 0.0019 0.0132 0.0132
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.004 0.0621 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0132 0.0148
Brugia malayi Glycosyl hydrolases family 31 protein 0.0035 0.0505 0.0564
Trypanosoma brucei unspecified product 0.002 0.0149 0.2229
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0042 0.0663 0.0663
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0018 0.01 0.1218
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0149 0.0149
Loa Loa (eye worm) hypothetical protein 0.0027 0.0316 0.0353
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0024 0.0245 0.3729
Schistosoma mansoni importin beta-1 0.003 0.0373 0.0373
Brugia malayi Calcitonin receptor-like protein seb-1 0.0205 0.449 0.5017
Echinococcus granulosus segment polarity protein dishevelled 0.0019 0.0131 0.0131
Echinococcus granulosus Smad4 0.0016 0.006 0.006
Loa Loa (eye worm) hypothetical protein 0.0015 0.0022 0.0025
Onchocerca volvulus 0.0143 0.3033 0.339
Entamoeba histolytica exodeoxyribonuclease III, putative 0.004 0.0621 0.9356
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0042 0.0663 0.0663
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0042 0.0663 1
Schistosoma mansoni hypothetical protein 0.0023 0.0209 0.0209
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.0116 0.0116
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0205 0.449 0.5017
Schistosoma mansoni hypothetical protein 0.0017 0.0071 0.0071
Loa Loa (eye worm) TATA binding protein associated factor 0.0015 0.0022 0.0025
Loa Loa (eye worm) hypothetical protein 0.0027 0.0316 0.0353
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0042 0.0663 0.0663
Schistosoma mansoni hypothetical protein 0.044 1 1
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0149 0.2229
Mycobacterium leprae conserved hypothetical protein 0.0024 0.0245 1
Brugia malayi regulator of G-protein signaling egl-10 0.0019 0.0131 0.0146
Echinococcus multilocularis zinc finger protein 0.0023 0.0223 0.0223
Echinococcus granulosus methyl CpG binding domain protein 2 0.0019 0.0116 0.0116
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.004 0.0621 1
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.0149 0.2254
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.004 0.0605 0.0605
Onchocerca volvulus 0.0031 0.04 0.0447
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0042 0.0663 0.0663
Echinococcus multilocularis regulator of G protein signaling 7 0.0019 0.0131 0.0131
Loa Loa (eye worm) cytochrome P450 family protein 0.0027 0.0314 0.0351
Loa Loa (eye worm) peptidase family M1 containing protein 0.0116 0.2392 0.2674
Echinococcus multilocularis importin subunit beta 1 0.003 0.0373 0.0373
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.004 0.0621 0.9333
Echinococcus granulosus snurportin 1 0.0318 0.7131 0.7131
Schistosoma mansoni hypothetical protein 0.0065 0.1198 0.1198
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.025 0.3753
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0019 0.0131 0.0131
Brugia malayi Smad1 0.0016 0.006 0.0067
Plasmodium vivax importin-beta 2, putative 0.003 0.0373 0.5863
Brugia malayi Muscleblind-like protein 0.0304 0.6808 0.7608
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0019 0.0131 0.0146
Loa Loa (eye worm) hypothetical protein 0.0304 0.6808 0.7608
Echinococcus multilocularis aminopeptidase N 0.0143 0.3033 0.3033
Echinococcus granulosus importin subunit beta 1 0.003 0.0373 0.0373
Loa Loa (eye worm) latrophilin receptor protein 2 0.0065 0.1198 0.1339
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0505 0.7613
Echinococcus granulosus smad 0.0016 0.006 0.006
Echinococcus multilocularis lysosomal alpha glucosidase 0.0159 0.3417 0.3417
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0024 0.0245 0.5
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0505 0.7613
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0149 0.2254
Entamoeba histolytica hypothetical protein 0.0035 0.05 0.7542
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0505 0.7613
Entamoeba histolytica deoxycytidyl transferase, putative 0.002 0.0149 0.2254
Onchocerca volvulus 0.0019 0.0131 0.0146
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0718 0.0718
Trypanosoma cruzi aminopeptidase, putative 0.0042 0.0663 1
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0042 0.0663 1
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0042 0.0663 0.0663
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.004 0.0621 0.0694
Brugia malayi Peptidase family M1 containing protein 0.0143 0.3033 0.339
Loa Loa (eye worm) hypothetical protein 0.0019 0.0131 0.0146
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0018 0.01 0.1218
Loa Loa (eye worm) cytochrome P450 family protein 0.0058 0.1032 0.1153
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0149 0.2229
Loa Loa (eye worm) hypothetical protein 0.0078 0.1506 0.1683
Toxoplasma gondii histone lysine methyltransferase SET1 0.0061 0.1109 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0149 0.2229
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.004 0.0605 0.0605
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0018 0.01 0.1218
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.0149 0.2229
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0018 0.01 0.1218
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0065 0.1198 0.1198
Trypanosoma cruzi aminopeptidase, putative 0.0015 0.0022 0.0335
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0024 0.0245 0.2052
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.025 0.3773
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0042 0.0663 1
Schistosoma mansoni hypothetical protein 0.014 0.2966 0.2966
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.004 0.0621 0.0621
Schistosoma mansoni alpha-glucosidase 0.0137 0.2896 0.2896
Brugia malayi N-terminal motif family protein 0.0395 0.8948 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.004 0.0621 1
Leishmania major alpha glucosidase II subunit, putative 0.0035 0.0505 0.753
Echinococcus granulosus Pleckstrin G protein interacting region 0.0019 0.0131 0.0131
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0018 0.01 0.1218
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0505 0.7613
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0505 0.7613
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0065 0.1198 0.1198
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0718 0.0718
Echinococcus granulosus leukotriene A 4 hydrolase 0.0015 0.0022 0.0022
Echinococcus granulosus mothers against decapentaplegic 5 0.0016 0.006 0.006
Schistosoma mansoni alpha glucosidase 0.0035 0.0505 0.0505
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.05 0.05
Echinococcus granulosus dna polymerase kappa 0.002 0.0149 0.0149
Brugia malayi hypothetical protein 0.0035 0.05 0.0559
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0373 0.561

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 31.4 uM Inhibition of APN from pig kidney microsomes by spectrophotometry ChEMBL. 19969464
IC50 (binding) = 1755.2 uM Inhibition of MMP2 by spectrophotometry ChEMBL. 19969464

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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