Detailed information for compound 59777

Basic information

Technical information
  • TDR Targets ID: 59777
  • Name: (2S)-1-[(2S)-6-[(4-chloro-3-sulfamoylbenzoyl) amino]-2-[[(2S)-1-hydroxy-1-oxo-4-phenylbutan -2-yl]amino]hexanoyl]pyrrolidine-2-carboxylic acid
  • MW: 623.117 | Formula: C28H35ClN4O8S
  • H donors: 5 H acceptors: 8 LogP: 0.38 Rotable bonds: 17
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(N1CCC[C@H]1C(=O)O)[C@@H](N[C@H](C(=O)O)CCc1ccccc1)CCCCNC(=O)c1ccc(c(c1)S(=O)(=O)N)Cl
  • InChi: 1S/C28H35ClN4O8S/c29-20-13-12-19(17-24(20)42(30,40)41)25(34)31-15-5-4-9-21(26(35)33-16-6-10-23(33)28(38)39)32-22(27(36)37)14-11-18-7-2-1-3-8-18/h1-3,7-8,12-13,17,21-23,32H,4-6,9-11,14-16H2,(H,31,34)(H,36,37)(H,38,39)(H2,30,40,41)/t21-,22-,23-/m0/s1
  • InChiKey: YFYKTPUBKBXBOE-VABKMULXSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2S)-1-[(2S)-2-[[(1S)-1-carboxy-3-phenyl-propyl]amino]-6-[(4-chloro-3-sulfamoyl-benzoyl)amino]hexanoyl]pyrrolidine-2-carboxylic acid
  • (2S)-1-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]-6-[[(4-chloro-3-sulfamoylphenyl)-oxomethyl]amino]-1-oxohexyl]-2-pyrrolidinecarboxylic acid
  • (2S)-1-[(2S)-6-[(4-chloro-3-sulfamoyl-phenyl)carbonylamino]-2-[[(2S)-1-hydroxy-1-oxo-4-phenyl-butan-2-yl]amino]hexanoyl]pyrrolidine-2-carboxylic acid
  • (2S)-1-[(2S)-2-[[(1S)-1-carboxy-3-phenyl-propyl]amino]-6-[(4-chloro-3-sulfamoyl-benzoyl)amino]hexanoyl]proline

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 6-phosphofructokinase 0.0123 0.1207 0.1457
Plasmodium vivax SET domain protein, putative 0.0036 0.0217 0.4874
Brugia malayi hypothetical protein 0.0036 0.0222 0.0268
Loa Loa (eye worm) hypothetical protein 0.012 0.1169 0.1412
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0145 0.145 0.1752
Loa Loa (eye worm) Smad1 0.0017 0.0009 0.0011
Loa Loa (eye worm) transcription factor SMAD2 0.0252 0.2669 0.3223
Brugia malayi Angiotensin-converting enzyme family protein 0.0749 0.8279 1
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.027 0.0899
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0123 0.1207 1
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0025 0.0098 0.0098
Brugia malayi MH1 domain containing protein 0.0017 0.0009 0.0011
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.004 0.027 0.2138
Toxoplasma gondii exonuclease III APE 0.0021 0.0056 0.0313
Schistosoma mansoni ferritin 0.0018 0.0016 0.0016
Echinococcus multilocularis snurportin 1 0.0349 0.3756 0.3756
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0086 0.079 0.079
Trichomonas vaginalis phosphofructokinase, putative 0.0033 0.0191 0.0619
Onchocerca volvulus 0.017 0.1735 0.5772
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 0.0056 0.0462
Loa Loa (eye worm) hypothetical protein 0.0036 0.0217 0.0262
Brugia malayi Carboxylesterase family protein 0.007 0.0607 0.0733
Echinococcus granulosus neuroligin 0.007 0.0607 0.0607
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0017 0.0009 0.0009
Loa Loa (eye worm) 6-phosphofructokinase 0.0123 0.1207 0.1457
Schistosoma mansoni smad1 5 8 and 0.0017 0.0009 0.0009
Trichomonas vaginalis phosphofructokinase, putative 0.0033 0.0191 0.0619
Brugia malayi hypothetical protein 0.007 0.0607 0.0733
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0217 0.0217
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0145 0.145 0.145
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0056 0.0067
Onchocerca volvulus 0.007 0.0607 0.1484
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0257 0.2723 1
Echinococcus granulosus family S9 non peptidase ue S09 family 0.007 0.0607 0.0607
Mycobacterium ulcerans hypothetical protein 0.004 0.027 0.2138
Echinococcus granulosus TGF beta signal transducer SmadC 0.0017 0.0009 0.0009
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.018 0.018
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.012 0.1169 0.1169
Loa Loa (eye worm) hypothetical protein 0.004 0.027 0.0326
Echinococcus granulosus survival motor neuron protein 1 0.0264 0.2805 0.2805
Echinococcus granulosus BC026374 protein S09 family 0.007 0.0607 0.0607
Schistosoma mansoni hypothetical protein 0.012 0.1169 0.1169
Brugia malayi 6-phosphofructokinase 0.0123 0.1207 0.1457
Trichomonas vaginalis helicase, putative 0.0021 0.0048 0.0116
Mycobacterium tuberculosis Probable lipase LipD 0.004 0.027 0.0992
Loa Loa (eye worm) hypothetical protein 0.0056 0.0445 0.0537
Plasmodium vivax 6-phosphofructokinase, putative 0.0033 0.0191 0.4293
Loa Loa (eye worm) hypothetical protein 0.0161 0.1637 0.1977
Echinococcus multilocularis geminin 0.0512 0.5604 0.5604
Brugia malayi Carboxylesterase family protein 0.0415 0.4504 0.544
Brugia malayi MH2 domain containing protein 0.0017 0.0009 0.0011
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0056 0.0142
Brugia malayi beta-lactamase 0.004 0.027 0.0326
Trichomonas vaginalis spcc417.12 protein, putative 0.007 0.0607 0.209
Brugia malayi hypothetical protein 0.017 0.1735 0.2096
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0033 0.0191 0.0619
Schistosoma mansoni BC026374 protein (S09 family) 0.007 0.0607 0.0607
Echinococcus multilocularis Smad4 0.0017 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.007 0.0607 0.0733
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.027 0.027
Echinococcus granulosus mothers against decapentaplegic 5 0.0017 0.0009 0.0009
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0068 0.0587 0.0587
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.012 0.1169 0.1169
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0415 0.4504 0.4504
Entamoeba histolytica hypothetical protein 0.0079 0.0707 0.5661
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.007 0.0607 0.223
Mycobacterium tuberculosis Probable lipase LipE 0.004 0.027 0.0992
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0033 0.0191 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.012 0.1169 0.1169
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.0048 0.0116
Schistosoma mansoni neuroligin 3 (S09 family) 0.007 0.0607 0.0607
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0056 0.0142
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0033 0.0191 0.4293
Brugia malayi Calcitonin receptor-like protein seb-1 0.0379 0.4095 0.4946
Echinococcus granulosus muscleblind protein 0.0161 0.1637 0.1637
Loa Loa (eye worm) beta-lactamase 0.004 0.027 0.0326
Echinococcus granulosus expressed protein 0.0018 0.0016 0.0016
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0194 0.2013 0.2013
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0086 0.079 0.0954
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0048 0.0116
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0217 0.0217
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.027 0.0326
Trichomonas vaginalis phosphofructokinase, putative 0.0123 0.1207 0.4206
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.027 0.0899
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.0048 0.0116
Loa Loa (eye worm) hypothetical protein 0.007 0.0607 0.0733
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0145 0.145 0.145
Loa Loa (eye worm) MH2 domain-containing protein 0.0017 0.0009 0.0011
Brugia malayi beta-lactamase family protein 0.004 0.027 0.0326
Schistosoma mansoni aldehyde dehydrogenase 0.0068 0.0587 0.0587
Schistosoma mansoni hypothetical protein 0.0512 0.5604 0.5604
Schistosoma mansoni 6-phosphofructokinase 0.0123 0.1207 0.1207
Echinococcus granulosus mixed lineage leukemia protein mll 0.0024 0.0085 0.0085
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0217 0.0217
Loa Loa (eye worm) hypothetical protein 0.004 0.027 0.0326
Brugia malayi Carboxylesterase family protein 0.007 0.0607 0.0733
Echinococcus granulosus smad 0.0017 0.0009 0.0009
Echinococcus granulosus snurportin 1 0.0349 0.3756 0.3756
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0217 0.0217
Toxoplasma gondii aldehyde dehydrogenase 0.0068 0.0587 0.3296
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0086 0.079 0.2734
Onchocerca volvulus 0.007 0.0607 0.1484
Echinococcus multilocularis survival motor neuron protein 1 0.0264 0.2805 0.2805
Brugia malayi CXXC zinc finger family protein 0.0091 0.0845 0.102
Brugia malayi beta-lactamase family protein 0.004 0.027 0.0326
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0114 0.0349
Brugia malayi Carboxylesterase family protein 0.007 0.0607 0.0733
Brugia malayi hypothetical protein 0.0079 0.0707 0.0854
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0145 0.145 0.145
Loa Loa (eye worm) MH1 domain-containing protein 0.0017 0.0009 0.0011
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0033 0.0191 0.1175
Entamoeba histolytica phosphofructokinase, putative 0.0123 0.1207 1
Brugia malayi RNA, U transporter 1 0.0093 0.0865 0.1044
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0086 0.079 0.079
Onchocerca volvulus 0.0268 0.2847 1
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0086 0.079 0.2734
Toxoplasma gondii HEAT repeat-containing protein 0.0033 0.0184 0.1035
Trypanosoma cruzi PAB1-binding protein , putative 0.0056 0.0445 0.3687
Loa Loa (eye worm) acetylcholinesterase 1 0.0415 0.4504 0.544
Mycobacterium ulcerans lipase LipD 0.004 0.027 0.2138
Mycobacterium leprae Probable lipase LipE 0.004 0.027 0.2138
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0056 0.0067
Trichomonas vaginalis phosphofructokinase, putative 0.0033 0.0191 0.0619
Mycobacterium ulcerans aldehyde dehydrogenase 0.0068 0.0587 0.4794
Schistosoma mansoni cpg binding protein 0.0096 0.0903 0.0903
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0024 0.0085 0.0085
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.0184 0.1526
Entamoeba histolytica hypothetical protein 0.0079 0.0707 0.5661
Entamoeba histolytica hypothetical protein 0.0079 0.0707 0.5661
Mycobacterium leprae conserved hypothetical protein 0.004 0.027 0.2138
Toxoplasma gondii phosphofructokinase PFKII 0.0033 0.0191 0.1073
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.027 0.0899
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0086 0.079 0.079
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0054 0.0425 0.0513
Echinococcus multilocularis dnaJ subfamily B 0.0901 1 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0056 0.1254
Echinococcus multilocularis beta LACTamase domain containing family member 0.004 0.027 0.027
Echinococcus granulosus Smad4 0.0017 0.0009 0.0009
Echinococcus granulosus carboxylesterase 5A 0.0415 0.4504 0.4504
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0056 0.0056
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.027 0.027
Loa Loa (eye worm) hypothetical protein 0.0379 0.4095 0.4946
Loa Loa (eye worm) carboxylesterase 0.007 0.0607 0.0733
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.027 0.224
Leishmania major hypothetical protein, conserved 0.0056 0.0445 0.3687
Leishmania major ATP-dependent phosphofructokinase 0.0123 0.1207 1
Schistosoma mansoni acetylcholinesterase 0.007 0.0607 0.0607
Echinococcus multilocularis carboxylesterase 5A 0.0415 0.4504 0.4504
Schistosoma mansoni hypothetical protein 0.0349 0.3756 0.3756
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 0.0056 0.0462
Echinococcus granulosus acetylcholinesterase 0.0415 0.4504 0.4504
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0024 0.0085 0.0085
Mycobacterium ulcerans aldehyde dehydrogenase 0.0068 0.0587 0.4794
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0079 0.0707 0.0707
Brugia malayi hypothetical protein 0.0056 0.0445 0.0537
Schistosoma mansoni hypothetical protein 0.0512 0.5604 0.5604
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0123 0.1207 1
Loa Loa (eye worm) hypothetical protein 0.004 0.027 0.0326
Plasmodium vivax ataxin-2 like protein, putative 0.0056 0.0445 1
Echinococcus multilocularis muscleblind protein 0.0161 0.1637 0.1637
Schistosoma mansoni hypothetical protein 0.012 0.1169 0.1169
Schistosoma mansoni cpg binding protein 0.0091 0.0845 0.0845
Schistosoma mansoni hypothetical protein 0.012 0.1169 0.1169
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 0.0056 0.0462
Trichomonas vaginalis phosphofructokinase, putative 0.0033 0.0191 0.0619
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0217 0.0217
Loa Loa (eye worm) hypothetical protein 0.007 0.0607 0.0733
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.007 0.0607 0.0607
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0086 0.079 0.6546
Brugia malayi hypothetical protein 0.0264 0.2805 0.3388
Loa Loa (eye worm) hypothetical protein 0.0264 0.2805 0.3388
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.027 0.0326
Onchocerca volvulus 0.004 0.027 0.0203
Loa Loa (eye worm) CXXC zinc finger family protein 0.0091 0.0845 0.102
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.0048 0.0116
Echinococcus multilocularis 6 phosphofructokinase 0.0123 0.1207 0.1207
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0048 0.0116
Plasmodium vivax importin-beta 2, putative 0.0033 0.0184 0.414
Plasmodium vivax 6-phosphofructokinase, putative 0.0033 0.0191 0.4293
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0086 0.079 0.079
Trichomonas vaginalis phosphofructokinase, putative 0.0123 0.1207 0.4206
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0123 0.1207 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0145 0.145 0.145
Echinococcus granulosus importin subunit beta 1 0.0033 0.0184 0.0184
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0349 0.3756 0.4536
Leishmania major importin beta-1 subunit, putative 0.0026 0.0114 0.0948
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0021 0.0056 0.0338
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0086 0.079 0.079
Trichomonas vaginalis conserved hypothetical protein 0.0086 0.079 0.2734
Mycobacterium ulcerans aldehyde dehydrogenase 0.0068 0.0587 0.4794
Brugia malayi Carboxylesterase family protein 0.007 0.0607 0.0733
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0033 0.0191 0.1073
Onchocerca volvulus 0.007 0.0607 0.1484
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.007 0.0607 0.0607
Schistosoma mansoni hypothetical protein 0.012 0.1169 0.1169
Brugia malayi Smad1 0.0017 0.0009 0.0011
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.007 0.0607 0.223
Onchocerca volvulus 0.007 0.0607 0.1484
Loa Loa (eye worm) phosphofructokinase 0.0123 0.1207 0.1457
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.007 0.0607 0.0607
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0785 0.8694 0.8694
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0086 0.079 0.6546
Schistosoma mansoni ap endonuclease 0.0021 0.0056 0.0056
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0123 0.1207 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.012 0.1169 0.1412
Echinococcus granulosus ferritin 0.0018 0.0016 0.0016
Echinococcus multilocularis ferritin 0.0018 0.0016 0.0016
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0236 0.2482 0.2998
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0123 0.1207 0.443
Trypanosoma brucei hypothetical protein, conserved 0.004 0.027 0.224
Mycobacterium tuberculosis Conserved protein 0.004 0.027 0.0992
Schistosoma mansoni smad 0.0017 0.0009 0.0009
Mycobacterium tuberculosis Conserved protein 0.004 0.027 0.0992
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.0184 0.1526
Loa Loa (eye worm) hypothetical protein 0.0033 0.0184 0.0222
Brugia malayi Pre-SET motif family protein 0.0236 0.2482 0.2998
Loa Loa (eye worm) carboxylesterase 0.0415 0.4504 0.544
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0048 0.0116
Echinococcus granulosus geminin 0.0512 0.5604 0.5604
Echinococcus granulosus GPCR family 2 0.012 0.1169 0.1169
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0021 0.0048 0.0116
Loa Loa (eye worm) hypothetical protein 0.007 0.0607 0.0733
Echinococcus multilocularis para nitrobenzyl esterase 0.007 0.0607 0.0607
Schistosoma mansoni hypothetical protein 0.0054 0.0425 0.0425
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0024 0.0085 0.0085
Schistosoma mansoni aldehyde dehydrogenase 0.0068 0.0587 0.0587
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0025 0.0098 0.0098
Toxoplasma gondii 6-phosphofructokinase 0.0033 0.0191 0.1073
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0068 0.0587 0.4861
Brugia malayi Importin beta-1 subunit 0.0033 0.0184 0.0222
Loa Loa (eye worm) hypothetical protein 0.007 0.0607 0.0733
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0086 0.079 1
Echinococcus multilocularis GPCR, family 2 0.012 0.1169 0.1169
Schistosoma mansoni smad1 5 8 and 0.0017 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.004 0.027 0.0326
Schistosoma mansoni hypothetical protein 0.0079 0.0707 0.0707
Toxoplasma gondii ABC1 family protein 0.004 0.027 0.1519
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.012 0.1169 0.1169
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.0056 1
Echinococcus granulosus ubiquitin specific protease 41 0.0086 0.079 0.079
Mycobacterium tuberculosis Probable esterase LipL 0.004 0.027 0.0992
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0033 0.0191 0.1841
Schistosoma mansoni ferritin light chain 0.0018 0.0016 0.0016
Mycobacterium ulcerans 6-phosphofructokinase 0.0123 0.1207 1
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0086 0.079 0.079
Trichomonas vaginalis phosphofructokinase, putative 0.0033 0.0191 0.0619
Schistosoma mansoni 6-phosphofructokinase 0.0123 0.1207 0.1207
Brugia malayi Muscleblind-like protein 0.0161 0.1637 0.1977
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.007 0.0607 0.0607
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0145 0.145 0.145
Schistosoma mansoni ferritin light chain 0.0018 0.0016 0.0016
Brugia malayi MH1 domain containing protein 0.0017 0.0009 0.0011
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0145 0.145 0.1752
Leishmania major hypothetical protein, conserved 0.004 0.027 0.224
Schistosoma mansoni hypothetical protein 0.0901 1 1
Mycobacterium ulcerans esterase/lipase LipP 0.004 0.027 0.2138
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.012 0.1169 0.1412
Echinococcus granulosus 6 phosphofructokinase 0.0123 0.1207 0.1207
Brugia malayi MH2 domain containing protein 0.0017 0.0009 0.0011
Toxoplasma gondii histone lysine methyltransferase SET1 0.0174 0.178 1
Onchocerca volvulus 0.0054 0.0425 0.0791
Mycobacterium ulcerans carboxylesterase, LipT 0.007 0.0607 0.4968
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0068 0.0587 0.0587
Mycobacterium tuberculosis Probable conserved lipoprotein 0.004 0.027 0.0992
Brugia malayi Carboxylesterase family protein 0.0415 0.4504 0.544
Echinococcus multilocularis expressed protein 0.0018 0.0016 0.0016
Trichomonas vaginalis importin beta-1, putative 0.0026 0.0114 0.0349
Brugia malayi phosphofructokinase 0.0123 0.1207 0.1457
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0048 0.0116
Echinococcus multilocularis mothers against decapentaplegic 5 0.0017 0.0009 0.0009
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0056 0.1254
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.004 0.027 0.0992
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0021 0.0048 0.0116
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0379 0.4095 0.4946
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.027 0.224
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0048 0.0116
Echinococcus multilocularis importin subunit beta 1 0.0033 0.0184 0.0184
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0217 0.0217
Echinococcus granulosus para nitrobenzyl esterase 0.007 0.0607 0.0607
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.027 0.0899
Trypanosoma cruzi importin beta-1 subunit, putative 0.0026 0.0114 0.0948
Echinococcus multilocularis ubiquitin specific protease 41 0.0086 0.079 0.079
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0033 0.0191 0.5
Echinococcus granulosus acetylcholinesterase 0.0415 0.4504 0.4504
Echinococcus granulosus cpg binding protein 0.0096 0.0903 0.0903
Entamoeba histolytica hypothetical protein 0.0079 0.0707 0.5661
Plasmodium falciparum ataxin-2 like protein, putative 0.0056 0.0445 1
Echinococcus multilocularis acetylcholinesterase 0.0415 0.4504 0.4504
Brugia malayi latrophilin 2 splice variant baaae 0.0259 0.2741 0.3311
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0056 0.0056
Entamoeba histolytica phosphofructokinase, putative 0.0123 0.1207 1
Brugia malayi F/Y-rich N-terminus family protein 0.0029 0.0143 0.0173
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0029 0.0148 0.0148
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.0048 0.0116
Trichomonas vaginalis phosphofructokinase, putative 0.0123 0.1207 0.4206
Entamoeba histolytica phosphofructokinase, putative 0.0123 0.1207 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0024 0.0085 0.0085
Loa Loa (eye worm) hypothetical protein 0.004 0.027 0.0326
Brugia malayi Latrophilin receptor protein 2 0.012 0.1169 0.1412
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0033 0.0191 0.1473
Loa Loa (eye worm) histone methyltransferase 0.0029 0.0148 0.0178
Schistosoma mansoni ferritin 0.0018 0.0016 0.0016
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0048 0.0116
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0021 0.0056 0.0462
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.004 0.027 0.0992
Schistosoma mansoni Smad4 0.0017 0.0009 0.0009
Schistosoma mansoni apoferritin-2 0.0018 0.0016 0.0016
Toxoplasma gondii LsmAD domain-containing protein 0.0056 0.0445 0.25
Loa Loa (eye worm) carboxylesterase 0.007 0.0607 0.0733
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0086 0.079 0.6379
Schistosoma mansoni transcription factor LCR-F1 0.0079 0.0707 0.0707
Plasmodium vivax hypothetical protein, conserved 0.004 0.027 0.6075
Schistosoma mansoni smad1 5 8 and 0.0017 0.0009 0.0009
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0079 0.0707 0.0707
Onchocerca volvulus 0.004 0.027 0.0203
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0145 0.145 0.145
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.0056 0.0338
Mycobacterium tuberculosis Conserved protein 0.004 0.027 0.0992
Mycobacterium tuberculosis Carboxylesterase LipT 0.007 0.0607 0.223
Loa Loa (eye worm) hypothetical protein 0.0259 0.2741 0.3311
Loa Loa (eye worm) hypothetical protein 0.007 0.0607 0.0733
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0033 0.0191 0.4293
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0021 0.0056 0.0205
Trichomonas vaginalis esterase, putative 0.004 0.027 0.0899
Loa Loa (eye worm) hypothetical protein 0.017 0.1735 0.2096
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0086 0.079 0.6546
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0048 0.0116
Onchocerca volvulus 0.0091 0.0845 0.2387
Echinococcus multilocularis smad 0.0017 0.0009 0.0009
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0086 0.079 0.6546
Schistosoma mansoni hypothetical protein 0.0025 0.0098 0.0098
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.0048 0.0116
Schistosoma mansoni ferritin 0.0018 0.0016 0.0016
Loa Loa (eye worm) hypothetical protein 0.004 0.027 0.0326
Schistosoma mansoni hypothetical protein 0.0259 0.2741 0.2741
Trypanosoma cruzi PAB1-binding protein , putative 0.0056 0.0445 0.3687
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0379 0.4095 0.4946
Schistosoma mansoni ap endonuclease 0.0021 0.0056 0.0056
Echinococcus multilocularis cpg binding protein 0.0096 0.0903 0.0903
Mycobacterium tuberculosis Probable hydrolase 0.004 0.027 0.0992
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0018 0.0016 0.0057
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0048 0.0116
Loa Loa (eye worm) hypothetical protein 0.007 0.0607 0.0733
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0114 0.0349
Schistosoma mansoni ferritin 0.0018 0.0016 0.0016
Trichomonas vaginalis phosphofructokinase, putative 0.0123 0.1207 0.4206
Mycobacterium ulcerans beta-lactamase 0.004 0.027 0.2138
Echinococcus multilocularis muscleblind protein 1 0.0161 0.1637 0.1637
Onchocerca volvulus 0.004 0.027 0.0203
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.0048 0.0116
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0217 0.1218
Echinococcus multilocularis neuroligin 0.007 0.0607 0.0607
Schistosoma mansoni importin beta-1 0.0033 0.0184 0.0184
Brugia malayi Pre-SET motif family protein 0.0036 0.0217 0.0262
Plasmodium falciparum ataxin-2 like protein, putative 0.0056 0.0445 1
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0018 0.0016 0.0057
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0068 0.0587 0.2154
Trichomonas vaginalis set domain proteins, putative 0.0268 0.2847 1
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.007 0.0607 0.209
Loa Loa (eye worm) MH2 domain-containing protein 0.0252 0.2669 0.3223
Loa Loa (eye worm) hypothetical protein 0.0415 0.4504 0.544
Trypanosoma brucei PAB1-binding protein , putative 0.0056 0.0445 0.3687
Echinococcus multilocularis acetylcholinesterase 0.0415 0.4504 0.4504
Loa Loa (eye worm) angiotensin-converting enzyme family protein 0.0749 0.8279 1
Schistosoma mansoni survival motor neuron protein 0.0054 0.0425 0.0425
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0048 0.0116
Entamoeba histolytica hypothetical protein 0.0026 0.0114 0.0509
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.027 0.0899
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0017 0.0009 0.0009
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0217 0.0217
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0145 0.145 0.145
Echinococcus multilocularis BC026374 protein (S09 family) 0.007 0.0607 0.0607
Loa Loa (eye worm) hypothetical protein 0.0086 0.079 0.0954
Brugia malayi MH2 domain containing protein 0.0252 0.2669 0.3223
Trichomonas vaginalis phosphofructokinase, putative 0.0033 0.0191 0.0619
Schistosoma mansoni gliotactin 0.007 0.0607 0.0607
Plasmodium falciparum importin beta, putative 0.0033 0.0184 0.414
Loa Loa (eye worm) hypothetical protein 0.0415 0.4504 0.544
Loa Loa (eye worm) hypothetical protein 0.0161 0.1637 0.1977
Schistosoma mansoni apoferritin-2 0.0018 0.0016 0.0016
Schistosoma mansoni cpg binding protein 0.0096 0.0903 0.0903
Echinococcus granulosus beta LACTamase domain containing family member 0.004 0.027 0.027
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0029 0.0148 0.0148
Onchocerca volvulus 0.007 0.0607 0.1484
Loa Loa (eye worm) 6-phosphofructokinase 0.0123 0.1207 0.1457

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) NI 0 Diuretic activity of the compound (ip);NI- No Increase ChEMBL. 2342054
Activity (functional) NI 0 Diuretic activity of the compound (po);NI- No increase ChEMBL. 2342054
Activity (binding) = 80 % Inhibition of Angiotensin I converting enzyme(ACE) at the dose of 10 mg/kg (po) in rat ChEMBL. 2342054
Activity (binding) = 100 % Inhibition of Angiotensin I converting enzyme(ACE) at the dose of 100 mg/kg (ip) in rat ChEMBL. 2342054
Activity (binding) = 100 % Inhibition of Angiotensin I converting enzyme(ACE) at the dose of 100 mg/kg (po) in rat ChEMBL. 2342054
Duration (functional) > 3 hr Duration of action of the compound on ACE in rat ChEMBL. 2342054
IC50 (binding) = 0.0065 uM In vitro inhibitory activity against Angiotensin I converting enzyme (ACE) ChEMBL. 2342054

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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