Detailed information for compound 227588

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 612.138 | Formula: C35H36ClN4O4-
  • H donors: 1 H acceptors: 4 LogP: 5.8 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(/C=C\c1ccc(cc1)N1CCCC1=O)NCC(=O)N(c1ccc(c(c1C)COc1cccc2c1nc(C)cc2)C)C.[Cl-]
  • InChi: 1S/C35H36N4O4.ClH/c1-23-10-18-30(25(3)29(23)22-43-31-8-5-7-27-15-11-24(2)37-35(27)31)38(4)34(42)21-36-32(40)19-14-26-12-16-28(17-13-26)39-20-6-9-33(39)41;/h5,7-8,10-19H,6,9,20-22H2,1-4H3,(H,36,40);1H/p-1/b19-14+;
  • InChiKey: SVOXNKJRAZGOFG-UGAWPWHASA-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
Brugia malayi AMP-binding enzyme family protein 0.0024 0.003 0.0047
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0034 0.0065 0.0065
Loa Loa (eye worm) hypothetical protein 0.0018 0.0009 0.0014
Echinococcus granulosus zinc finger protein 0.0023 0.0027 0.0027
Brugia malayi MH1 domain containing protein 0.0019 0.0012 0.002
Loa Loa (eye worm) hypothetical protein 0.0715 0.2426 0.3814
Loa Loa (eye worm) hypothetical protein 0.0018 0.0009 0.0014
Brugia malayi AMP-binding enzyme family protein 0.0024 0.003 0.0047
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0009 0.0005
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.003 0.0038
Echinococcus multilocularis sterol regulatory element binding protein 0.0045 0.0105 0.0105
Trichomonas vaginalis set domain proteins, putative 0.0239 0.0775 0.1185
Mycobacterium tuberculosis Conserved protein 0.0025 0.0033 0.0043
Trypanosoma cruzi trypanothione reductase, putative 0.0043 0.0095 0.0259
Trypanosoma cruzi AMP deaminase 2, putative 0.0715 0.2426 0.6991
Brugia malayi MH2 domain containing protein 0.0034 0.0065 0.0102
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0024 0.0068
Echinococcus granulosus TGF beta signal transducer SmadC 0.0034 0.0065 0.0065
Plasmodium falciparum AMP deaminase, putative 0.1016 0.3468 0.5446
Leishmania major AMP deaminase, putative,adenosine monophosphate deaminase-like protein 0.1016 0.3468 0.5448
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0024 0.0068
Echinococcus multilocularis adenosine deaminase 0.1851 0.6362 0.6362
Trypanosoma brucei hypothetical protein, conserved 0.0214 0.0689 0.1985
Loa Loa (eye worm) hypothetical protein 0.0269 0.0878 0.1381
Loa Loa (eye worm) hypothetical protein 0.0106 0.0313 0.0493
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0299 0.0983 0.0983
Brugia malayi RNA recognition motif domain containing protein 0.0211 0.0679 0.1068
Brugia malayi adenosine monophosphate deaminase 0.1016 0.3468 0.5452
Echinococcus multilocularis peregrin 0.0032 0.0058 0.0058
Treponema pallidum adenosine deaminase 0.1851 0.6362 1
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0045 0.0105 0.0164
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0048 0.0048
Mycobacterium ulcerans lipase LipD 0.0041 0.0089 0.0127
Echinococcus granulosus citrate lyase subunit beta protein 0.0025 0.0033 0.0033
Brugia malayi beta-lactamase family protein 0.0041 0.0089 0.014
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0089 0.0243
Echinococcus multilocularis geminin 0.0726 0.2465 0.2465
Trypanosoma brucei adenosine monophosphate deaminase, putative 0.1016 0.3468 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0041 0.0089 0.0132
Trypanosoma cruzi AMP deaminase, putative 0.1016 0.3468 1
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0025 0.0033 0.008
Toxoplasma gondii ABC1 family protein 0.0041 0.0089 0.0064
Loa Loa (eye worm) hypothetical protein 0.0024 0.003 0.0047
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0039 0.0083 1
Brugia malayi Thioredoxin reductase 0.0043 0.0095 0.0149
Echinococcus granulosus sterol regulatory element binding protein 0.0045 0.0105 0.0105
Loa Loa (eye worm) MH2 domain-containing protein 0.0034 0.0065 0.0102
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0054 0.0008
Plasmodium falciparum glutathione reductase 0.0043 0.0095 0.0135
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0039 0.0083 0.0116
Echinococcus multilocularis survival motor neuron protein 1 0.0269 0.0878 0.0878
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.003 0.0033
Echinococcus multilocularis thioredoxin glutathione reductase 0.0043 0.0097 0.0097
Onchocerca volvulus 0.0239 0.0775 0.1218
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0022 0.0024 0.003
Loa Loa (eye worm) hypothetical protein 0.0018 0.0009 0.0014
Echinococcus granulosus geminin 0.0726 0.2465 0.2465
Schistosoma mansoni smad1 5 8 and 0.0034 0.0065 0.0065
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0096 0.028 0.028
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0039 0.0083 0.0224
Onchocerca volvulus Alhambra homolog 0.0029 0.0049 0.0077
Echinococcus granulosus peregrin 0.0032 0.0058 0.0058
Schistosoma mansoni tar DNA-binding protein 0.0211 0.0679 0.0679
Entamoeba histolytica hypothetical protein 0.019 0.0605 0.0917
Schistosoma mansoni hypothetical protein 0.0237 0.077 0.077
Mycobacterium tuberculosis Conserved hypothetical protein 0.0022 0.0024 0.0029
Schistosoma mansoni hypothetical protein 0.019 0.0605 0.0605
Echinococcus multilocularis dna polymerase kappa 0.0022 0.0024 0.0024
Mycobacterium leprae Probable adenosine deaminase Add (ADENOSINE AMINOHYDROLASE) 0.1851 0.6362 1
Schistosoma mansoni hypothetical protein 0.0036 0.0072 0.0072
Brugia malayi Latrophilin receptor protein 2 0.0237 0.077 0.121
Echinococcus multilocularis AMP deaminase 2 0.1016 0.3468 0.3468
Loa Loa (eye worm) hypothetical protein 0.0041 0.0089 0.014
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0237 0.077 0.077
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.1851 0.6362 1
Loa Loa (eye worm) RNA binding protein 0.0211 0.0679 0.1068
Echinococcus multilocularis protein dispatched 1 0.0052 0.0127 0.0127
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.075 0.2547 0.4003
Trypanosoma brucei AMP deaminase, putative 0.1016 0.3468 1
Brugia malayi beta-lactamase family protein 0.0041 0.0089 0.014
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0026 0.0038 0.0038
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0039 0.0083 0.0083
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0024 0.0068
Mycobacterium tuberculosis Probable adenosine deaminase Add (adenosine aminohydrolase) 0.1851 0.6362 1
Brugia malayi Bromodomain containing protein 0.0042 0.0092 0.0144
Plasmodium vivax ataxin-2 like protein, putative 0.008 0.0224 0.0339
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.0084 0.0084
Onchocerca volvulus 0.0031 0.0054 0.0085
Plasmodium falciparum thioredoxin reductase 0.0043 0.0095 0.0135
Schistosoma mansoni bromodomain containing protein 0.007 0.0192 0.0192
Brugia malayi MH2 domain containing protein 0.0034 0.0065 0.0102
Trichomonas vaginalis adenosine deaminase, putative 0.1851 0.6362 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0054 0.0054
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0022 0.0024 0.0029
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0024 0.0054
Loa Loa (eye worm) hypothetical protein 0.0042 0.0092 0.0145
Echinococcus granulosus survival motor neuron protein 1 0.0269 0.0878 0.0878
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0024 0.0068
Echinococcus multilocularis protein patched 0.0045 0.0105 0.0105
Onchocerca volvulus 0.0055 0.0137 0.0216
Loa Loa (eye worm) MH2 domain-containing protein 0.0497 0.1671 0.2626
Echinococcus multilocularis microtubule associated protein 2 0.2901 1 1
Loa Loa (eye worm) AMP deaminase 0.1016 0.3468 0.5452
Loa Loa (eye worm) hypothetical protein 0.0029 0.0049 0.0077
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0039 0.0083 0.0083
Onchocerca volvulus 0.0041 0.0089 0.014
Schistosoma mansoni hypothetical protein 0.0513 0.1724 0.1724
Echinococcus granulosus jumonji domain containing protein 0.0041 0.0089 0.0089
Echinococcus multilocularis Smad4 0.0034 0.0065 0.0065
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0024 0.0054
Entamoeba histolytica hypothetical protein 0.019 0.0605 0.0917
Trichomonas vaginalis Citrate lyase beta chain, putative 0.0025 0.0033 0.0014
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.0025 0.0033 0.0038
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0025 0.0033 0.008
Schistosoma mansoni hypothetical protein 0.0237 0.077 0.077
Loa Loa (eye worm) hypothetical protein 0.1851 0.6362 1
Brugia malayi MH1 domain containing protein 0.0019 0.0012 0.002
Trypanosoma cruzi AMP deaminase, putative 0.1016 0.3468 1
Toxoplasma gondii exonuclease III APE 0.0039 0.0083 0.0053
Toxoplasma gondii histone lysine methyltransferase SET1 0.0062 0.0162 0.018
Schistosoma mansoni smad1 5 8 and 0.0034 0.0065 0.0065
Trypanosoma brucei hypothetical protein, conserved 0.0041 0.0089 0.0257
Schistosoma mansoni ap endonuclease 0.0039 0.0083 0.0083
Schistosoma mansoni hypothetical protein 0.0044 0.0099 0.0099
Leishmania major AMP deaminase, putative,amp deaminase-like protein 0.1016 0.3468 0.5448
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0055 0.0137 0.0216
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0067 0.0178 0.0178
Brugia malayi RNA binding protein 0.0211 0.0679 0.1068
Brugia malayi hypothetical protein 0.008 0.0224 0.0352
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.003 0.0033
Brugia malayi hypothetical protein 0.0335 0.111 0.1745
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.003 0.0033
Brugia malayi Adenosine/AMP deaminase family protein 0.1851 0.6362 1
Leishmania major adenine aminohydrolase 0.1851 0.6362 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0299 0.0983 0.0983
Brugia malayi hypothetical protein 0.0269 0.0878 0.1381
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0022 0.0024 0.0024
Loa Loa (eye worm) hypothetical protein 0.0045 0.0105 0.0164
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0237 0.077 0.077
Echinococcus granulosus dna polymerase eta 0.0022 0.0024 0.0024
Trypanosoma brucei PAB1-binding protein , putative 0.008 0.0224 0.0646
Mycobacterium tuberculosis Conserved protein 0.0041 0.0089 0.0132
Schistosoma mansoni hypothetical protein 0.0055 0.0137 0.0137
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0024 0.0068
Schistosoma mansoni hypothetical protein 0.0044 0.0099 0.0099
Toxoplasma gondii LsmAD domain-containing protein 0.008 0.0224 0.0277
Schistosoma mansoni zinc finger protein 0.0017 0.0005 0.0005
Schistosoma mansoni hypothetical protein 0.0726 0.2465 0.2465
Giardia lamblia PHD finger protein 15 0.0029 0.0049 0.4272
Plasmodium falciparum adenosine deaminase 0.1851 0.6362 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0261 0.0853 0.1333
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0039 0.0083 0.0093
Echinococcus multilocularis Niemann Pick C1 protein 0.0106 0.0313 0.0313
Onchocerca volvulus 0.0041 0.0089 0.014
Echinococcus granulosus Smad4 0.0034 0.0065 0.0065
Schistosoma mansoni hypothetical protein 0.0044 0.0099 0.0099
Mycobacterium ulcerans beta-lactamase 0.0041 0.0089 0.0127
Echinococcus multilocularis beta LACTamase domain containing family member 0.0041 0.0089 0.0089
Loa Loa (eye worm) transcription factor SMAD2 0.0497 0.1671 0.2626
Leishmania major AMP deaminase, putative 0.1016 0.3468 0.5448
Echinococcus multilocularis Niemann Pick C1 protein 0.0151 0.047 0.047
Brugia malayi latrophilin 2 splice variant baaae 0.0513 0.1724 0.271
Loa Loa (eye worm) hypothetical protein 0.0018 0.0009 0.0014
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0041 0.0089 0.014
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0018 0.0011 0.0011
Echinococcus multilocularis zinc finger protein 0.0023 0.0027 0.0027
Schistosoma mansoni jumonji domain containing protein 0.0076 0.0212 0.0212
Leishmania major hypothetical protein, conserved 0.0214 0.0689 0.1075
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0009 0.5
Leishmania major hypothetical protein, conserved 0.008 0.0224 0.0345
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0049 0.0063
Mycobacterium tuberculosis Conserved protein 0.0041 0.0089 0.0132
Brugia malayi jmjC domain containing protein 0.0096 0.028 0.044
Schistosoma mansoni cpg binding protein 0.0035 0.0068 0.0068
Brugia malayi hypothetical protein 0.019 0.0605 0.0951
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0039 0.0083 0.0224
Loa Loa (eye worm) hypothetical protein 0.1136 0.3883 0.6104
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0041 0.0089 0.0132
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.0024 0.0038
Plasmodium vivax hypothetical protein, conserved 0.0041 0.0089 0.0127
Brugia malayi MH1 domain containing protein 0.0034 0.0065 0.0102
Trypanosoma brucei trypanothione reductase 0.0043 0.0095 0.0273
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0299 0.0983 0.1545
Echinococcus granulosus adenosine deaminase 0.1851 0.6362 0.6362
Trypanosoma cruzi AMP deaminase, putative 0.1016 0.3468 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0049 0.0118 0.0118
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0237 0.077 0.121
Trichomonas vaginalis ap endonuclease, putative 0.0039 0.0083 0.0093
Echinococcus granulosus histone lysine methyltransferase setb 0.0049 0.0118 0.0118
Mycobacterium tuberculosis Probable hydrolase 0.0041 0.0089 0.0132
Brugia malayi Smad1 0.0034 0.0065 0.0102
Mycobacterium ulcerans esterase/lipase LipP 0.0041 0.0089 0.0127
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0054 0.0054
Loa Loa (eye worm) thioredoxin reductase 0.0043 0.0095 0.0149
Loa Loa (eye worm) hypothetical protein 0.0206 0.066 0.1038
Loa Loa (eye worm) nuclear factor I 0.0019 0.0012 0.002
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0105 0.0127
Echinococcus multilocularis cpg binding protein 0.0035 0.0068 0.0068
Mycobacterium ulcerans hypothetical protein 0.0025 0.0033 0.0038
Entamoeba histolytica hypothetical protein 0.019 0.0605 0.0917
Plasmodium vivax glutathione reductase, putative 0.0043 0.0095 0.0135
Loa Loa (eye worm) hypothetical protein 0.0041 0.0089 0.014
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0025 0.0033 0.0038
Mycobacterium tuberculosis Probable esterase LipL 0.0041 0.0089 0.0132
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0108 0.0321 0.0461
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.0089 0.0089
Onchocerca volvulus 0.0206 0.066 0.1038
Echinococcus granulosus tumor protein p63 0.1405 0.4817 0.4817
Echinococcus granulosus GPCR family 2 0.0237 0.077 0.077
Echinococcus granulosus beta LACTamase domain containing family member 0.0041 0.0089 0.0089
Trypanosoma cruzi hypothetical protein, conserved 0.0214 0.0689 0.1973
Onchocerca volvulus 0.0041 0.0089 0.014
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0043 0.0095 0.0141
Onchocerca volvulus 0.0024 0.003 0.0047
Onchocerca volvulus AMP deaminase 2 homolog 0.1016 0.3468 0.5452
Plasmodium falciparum phd finger protein, putative 0.0029 0.0049 0.0063
Schistosoma mansoni tar DNA-binding protein 0.0211 0.0679 0.0679
Loa Loa (eye worm) hypothetical protein 0.0056 0.014 0.022
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.003 0.0009
Brugia malayi hypothetical protein 0.0052 0.0126 0.0198
Schistosoma mansoni cellular tumor antigen P53 0.0206 0.066 0.066
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0024 0.0054
Schistosoma mansoni hypothetical protein 0.0439 0.1468 0.1468
Mycobacterium tuberculosis Probable reductase 0.0097 0.0284 0.0438
Leishmania major trypanothione reductase 0.0043 0.0095 0.0141
Schistosoma mansoni microtubule-associated protein tau 0.2901 1 1
Trypanosoma brucei AMP deaminase, putative 0.1016 0.3468 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.003 0.0047
Schistosoma mansoni zinc finger protein 0.0023 0.0027 0.0027
Echinococcus granulosus AMP deaminase 2 0.1016 0.3468 0.3468
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0049 0.0049
Echinococcus granulosus expressed conserved protein 0.0099 0.0291 0.0291
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0039 0.0083 0.013
Echinococcus multilocularis citrate lyase subunit beta protein 0.0025 0.0033 0.0033
Loa Loa (eye worm) hypothetical protein 0.0022 0.0024 0.0038
Loa Loa (eye worm) hypothetical protein 0.008 0.0224 0.0352
Plasmodium falciparum ataxin-2 like protein, putative 0.008 0.0224 0.0339
Echinococcus multilocularis smad 0.0034 0.0065 0.0065
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0024 0.0068
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0097 0.0284 0.0438
Echinococcus multilocularis tar DNA binding protein 0.0211 0.0679 0.0679
Leishmania major DNA polymerase kappa, putative 0.0022 0.0024 0.003
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.007 0.007
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0237 0.077 0.077
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0049 0.0118 0.0118
Schistosoma mansoni hypothetical protein 0.0726 0.2465 0.2465
Schistosoma mansoni hypothetical protein 0.0237 0.077 0.077
Mycobacterium tuberculosis Probable oxidoreductase 0.0108 0.0321 0.0497
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0024 0.0068
Brugia malayi Calcitonin receptor-like protein seb-1 0.075 0.2547 0.4003
Brugia malayi PHD-finger family protein 0.0029 0.0047 0.0074
Schistosoma mansoni cpg binding protein 0.0035 0.0068 0.0068
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.003 0.0033
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.003 0.0039
Brugia malayi F/Y-rich N-terminus family protein 0.0022 0.0024 0.0038
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.003 0.0039
Brugia malayi Bromodomain containing protein 0.0083 0.0236 0.0371
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0039 0.0083 0.0122
Onchocerca volvulus Adenosine deaminase homolog 0.1851 0.6362 1
Entamoeba histolytica hypothetical protein 0.019 0.0605 0.0917
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0041 0.0089 0.0127
Echinococcus granulosus Protein patched homolog 1 0.0045 0.0105 0.0105
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0024 0.0068
Echinococcus multilocularis mothers against decapentaplegic 5 0.0034 0.0065 0.0065
Loa Loa (eye worm) TAR-binding protein 0.0211 0.0679 0.1068
Loa Loa (eye worm) hypothetical protein 0.0041 0.0089 0.014
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.003 0.0033
Mycobacterium leprae conserved hypothetical protein 0.0041 0.0089 0.0094
Loa Loa (eye worm) hypothetical protein 0.0077 0.0214 0.0336
Loa Loa (eye worm) Smad1 0.0034 0.0065 0.0102
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.0024 0.0024
Loa Loa (eye worm) hypothetical protein 0.0301 0.099 0.1555
Echinococcus granulosus mothers against decapentaplegic 5 0.0034 0.0065 0.0065
Schistosoma mansoni adenosine deaminase 0.1851 0.6362 0.6362
Loa Loa (eye worm) hypothetical protein 0.0018 0.0009 0.0014
Loa Loa (eye worm) hypothetical protein 0.005 0.0122 0.0191
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0096 0.028 0.028
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0097 0.0284 0.0438
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.003 0.0009
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0089 0.0103
Trypanosoma brucei ISWI complex protein 0.0017 0.0005 0.0014
Schistosoma mansoni AMP deaminase 0.1016 0.3468 0.3468
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0022 0.0024 0.0024
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0024 0.0068
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.0025 0.0033 0.0043
Brugia malayi AMP-binding enzyme family protein 0.0024 0.003 0.0047
Schistosoma mansoni cpg binding protein 0.0031 0.0054 0.0054
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0024 0.0068
Mycobacterium tuberculosis Probable lipase LipD 0.0041 0.0089 0.0132
Plasmodium falciparum ataxin-2 like protein, putative 0.008 0.0224 0.0339
Leishmania major DNA polymerase eta, putative 0.0022 0.0024 0.003
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0299 0.0983 0.0983
Schistosoma mansoni survival motor neuron protein 0.0055 0.0137 0.0137
Echinococcus granulosus methyl CpG binding domain protein 2 0.0019 0.0012 0.0012
Echinococcus multilocularis GPCR, family 2 0.0237 0.077 0.077
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0024 0.0068
Leishmania major hypothetical protein, conserved 0.0041 0.0089 0.0132
Trichomonas vaginalis esterase, putative 0.0041 0.0089 0.0103
Echinococcus granulosus smad 0.0034 0.0065 0.0065
Loa Loa (eye worm) hypothetical protein 0.0048 0.0114 0.0179
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0097 0.0284 0.0438
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.021 0.0675 0.1061
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0024 0.0068
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0036 0.0072 0.0072
Trypanosoma cruzi hypothetical protein, conserved 0.0214 0.0689 0.1973
Schistosoma mansoni smad 0.0034 0.0065 0.0065
Loa Loa (eye worm) hypothetical protein 0.0041 0.0089 0.014
Loa Loa (eye worm) jmjC domain-containing protein 0.0039 0.0084 0.0132
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0089 0.0103
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0026 0.0038 0.0038
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0089 0.0103
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0039 0.0083 0.0083
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0066 0.0178 0.0178
Loa Loa (eye worm) jmjC domain-containing protein 0.0061 0.0157 0.0247
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0097 0.0284 0.0401
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0039 0.0083 0.0122
Trypanosoma brucei AMP deaminase, putative 0.1016 0.3468 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.0012 0.0012
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0211 0.0679 0.1068
Mycobacterium leprae Probable lipase LipE 0.0041 0.0089 0.0094
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0034 0.0065 0.0065
Trypanosoma cruzi PAB1-binding protein , putative 0.008 0.0224 0.0632
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.0024 0.0024
Mycobacterium ulcerans hypothetical protein 0.0041 0.0089 0.0127
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0107 0.0319 0.0319
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0299 0.0983 0.0983
Schistosoma mansoni ap endonuclease 0.0039 0.0083 0.0083
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0039 0.0083 0.0116
Mycobacterium tuberculosis Conserved protein 0.0041 0.0089 0.0132
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0299 0.0983 0.1545
Brugia malayi jmjC domain containing protein 0.0039 0.0084 0.0132
Toxoplasma gondii AMP deaminase 0.1016 0.3468 0.5417
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0299 0.0983 0.0983
Loa Loa (eye worm) hypothetical protein 0.0049 0.0118 0.0186
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0049 0.0077
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.003 0.0009
Brugia malayi MH1 domain containing protein 0.0034 0.0065 0.0102
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.003 0.0039
Schistosoma mansoni tar DNA-binding protein 0.0211 0.0679 0.0679
Echinococcus granulosus lysine specific demethylase 5A 0.0039 0.0084 0.0084
Brugia malayi TAR-binding protein 0.0211 0.0679 0.1068
Plasmodium vivax thioredoxin reductase, putative 0.0043 0.0095 0.0135
Trypanosoma cruzi adenosine monophosphate deaminase, putative 0.1016 0.3468 1
Schistosoma mansoni hypothetical protein 0.0237 0.077 0.077
Echinococcus granulosus dnaJ subfamily B 0.0439 0.1468 0.1468
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0299 0.0983 0.0983
Schistosoma mansoni tar DNA-binding protein 0.0211 0.0679 0.0679
Echinococcus multilocularis tumor protein p63 0.1405 0.4817 0.4817
Mycobacterium ulcerans adenosine deaminase 0.1851 0.6362 1
Trypanosoma cruzi AMP deaminase, putative 0.1016 0.3468 1
Brugia malayi Bromodomain containing protein 0.0032 0.0058 0.0091
Entamoeba histolytica AMP deaminase, putative 0.1016 0.3468 0.5435
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.003 0.0033
Echinococcus granulosus tar DNA binding protein 0.0211 0.0679 0.0679
Brugia malayi beta-lactamase 0.0041 0.0089 0.014
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0089 0.0243
Echinococcus multilocularis dnaJ subfamily B 0.0439 0.1468 0.1468
Brugia malayi Pre-SET motif family protein 0.0031 0.0054 0.0085
Onchocerca volvulus 0.0335 0.111 0.1745
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.0025 0.004
Schistosoma mansoni hypothetical protein 0.0044 0.0099 0.0099
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0097 0.0284 0.0438
Mycobacterium ulcerans hypothetical protein 0.0025 0.0033 0.0038
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0299 0.0983 0.0983
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0108 0.0321 0.0497
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0024 0.0054
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.0012 0.0012
Toxoplasma gondii thioredoxin reductase 0.0043 0.0095 0.0073
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0108 0.0321 0.0497
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0089 0.0103
Loa Loa (eye worm) beta-lactamase 0.0041 0.0089 0.014
Echinococcus granulosus thioredoxin glutathione reductase 0.0043 0.0097 0.0097
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0049 0.0118 0.0118
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0049 0.0049
Schistosoma mansoni smad1 5 8 and 0.0034 0.0065 0.0065
Loa Loa (eye worm) hypothetical protein 0.0513 0.1724 0.271
Schistosoma mansoni DNA polymerase eta 0.0022 0.0024 0.0024
Schistosoma mansoni hypothetical protein 0.0017 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.0024 0.003 0.0047
Loa Loa (eye worm) bromodomain containing protein 0.0019 0.0014 0.0022
Echinococcus granulosus fetal alzheimer antigen falz 0.0026 0.0038 0.0038
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0931 0.3173 0.3173
Echinococcus granulosus Niemann Pick C1 protein 0.0106 0.0313 0.0313
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0041 0.0089 0.0132
Plasmodium vivax adenosine/AMP deaminase, putative 0.1016 0.3468 0.5446
Leishmania major adenosine monophosphate deaminase, putative,AMP deaminase, putative 0.1016 0.3468 0.5448
Echinococcus granulosus Niemann Pick C1 protein 0.0151 0.047 0.047
Mycobacterium tuberculosis Probable lipase LipE 0.0041 0.0089 0.0132
Echinococcus granulosus cpg binding protein 0.0035 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0019 0.0012 0.002
Entamoeba histolytica AMP deaminase, putative 0.1016 0.3468 0.5435
Trypanosoma brucei unspecified product 0.0022 0.0024 0.0068
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.003 0.0038
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0106 0.0313 0.0457
Schistosoma mansoni transcription factor LCR-F1 0.019 0.0605 0.0605
Echinococcus granulosus dna polymerase kappa 0.0022 0.0024 0.0024
Leishmania major hypothetical protein, conserved 0.0715 0.2426 0.3809
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0039 0.0083 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0039 0.0083 0.0083
Loa Loa (eye worm) hypothetical protein 0.1136 0.3883 0.6104
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0089 0.0089
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0089 0.0089
Loa Loa (eye worm) hypothetical protein 0.1136 0.3883 0.6104
Brugia malayi MH2 domain containing protein 0.0497 0.1671 0.2626
Plasmodium vivax adenosine deaminase, putative 0.1851 0.6362 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0097 0.0284 0.0438
Loa Loa (eye worm) hypothetical protein 0.0044 0.0101 0.0159
Loa Loa (eye worm) hypothetical protein 0.0041 0.0089 0.014
Loa Loa (eye worm) hypothetical protein 0.0335 0.111 0.1745
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0039 0.0083 0.0116
Trichomonas vaginalis ap endonuclease, putative 0.0039 0.0083 0.0093
Trypanosoma cruzi adenosine monophosphate deaminase-like protein, putative 0.1016 0.3468 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0054 0.0054
Schistosoma mansoni hypothetical protein 0.0022 0.0025 0.0025
Loa Loa (eye worm) CXXC zinc finger family protein 0.0031 0.0054 0.0085
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0036 0.0072 0.0072
Mycobacterium ulcerans hypothetical protein 0.0024 0.003 0.0033
Brugia malayi PHD-finger family protein 0.0029 0.0049 0.0077
Loa Loa (eye worm) hypothetical protein 0.0041 0.0089 0.014
Brugia malayi CXXC zinc finger family protein 0.0031 0.0054 0.0085
Echinococcus multilocularis expressed conserved protein 0.0099 0.0291 0.0291
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0067 0.0178 0.0178
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.019 0.0605 0.0605
Trypanosoma cruzi PAB1-binding protein , putative 0.008 0.0224 0.0632
Loa Loa (eye worm) hypothetical protein 0.1136 0.3883 0.6104
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0019 0.0012 0.0012
Schistosoma mansoni patched 1 0.0045 0.0105 0.0105
Loa Loa (eye worm) hypothetical protein 0.0237 0.077 0.121
Brugia malayi exodeoxyribonuclease III family protein 0.0039 0.0083 0.013
Schistosoma mansoni adenosine deaminase-related 0.1851 0.6362 0.6362
Loa Loa (eye worm) latrophilin receptor protein 2 0.0237 0.077 0.121
Brugia malayi CHE-14 protein 0.0045 0.0105 0.0164
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.0024 0.0038
Onchocerca volvulus 0.0715 0.2426 0.3814
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.1851 0.6362 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.0084 0.0084
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0237 0.077 0.077
Loa Loa (eye worm) pigment dispersing factor receptor c 0.075 0.2547 0.4003
Schistosoma mansoni hypothetical protein 0.0029 0.0049 0.0049
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0025 0.0033 0.0044
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0089 0.0103
Brugia malayi Niemann-Pick C1 protein precursor 0.0106 0.0313 0.0493
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0041 0.0089 0.014
Trypanosoma brucei DNA polymerase eta, putative 0.0022 0.0024 0.0068
Schistosoma mansoni Smad4 0.0034 0.0065 0.0065
Schistosoma mansoni tar DNA-binding protein 0.0211 0.0679 0.0679
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0049 0.0049
Loa Loa (eye worm) hypothetical protein 0.075 0.2547 0.4003
Echinococcus multilocularis dna polymerase eta 0.0022 0.0024 0.0024
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0024 0.0068
Schistosoma mansoni terminal deoxycytidyl transferase 0.0022 0.0024 0.0024
Trypanosoma cruzi AMP deaminase, putative 0.1016 0.3468 1
Loa Loa (eye worm) glutathione reductase 0.0043 0.0095 0.0149
Entamoeba histolytica adenosine deaminase, putative 0.1851 0.6362 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0022 0.0024 0.0054
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0022 0.0024 0.0038
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0025 0.0033 0.0038
Plasmodium vivax SET domain protein, putative 0.0031 0.0054 0.0071
Brugia malayi glutathione reductase 0.0043 0.0095 0.0149
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0039 0.0083 0.0238
Trichomonas vaginalis adenosine deaminase, putative 0.1851 0.6362 1
Entamoeba histolytica adenosine deaminase, putative 0.1851 0.6362 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.019 0.0605 0.0605
Onchocerca volvulus 0.0031 0.0054 0.0085
Loa Loa (eye worm) MH1 domain-containing protein 0.0034 0.0065 0.0102
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0022 0.0024 0.0024
Brugia malayi Pre-SET motif family protein 0.021 0.0675 0.1061
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.003 0.0033

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.47 nM Concentration required to inhibit specific binding of [ 3H]BK (0.06 nM) to Bradykinin receptor B2 in guinea pig ileum membrane preparations by 50%. ChEMBL. 9767643
IC50 (binding) = 9.3 nM Inhibition specific binding of [3H]-BK (1.0 nM) to human Bradykinin receptor B2 which was expressed in CHO (Chinese hamster ovary) cells by 50%. ChEMBL. 9767643
Inhibition (functional) = 75.7 % Inhibition of Bradykinin induced Bronchoconstriction in anaesthetized guinea pig at 0.32mg/kg,po ChEMBL. 9767643
Inhibition (functional) = 94.9 % In vivo inhibition of Bradykinin induced Bronchoconstriction in anaesthetized guinea pig following 1 mg/kg p.o. ChEMBL. 9767643

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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