Detailed information for compound 304747

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 436.5 | Formula: C25H28N2O5
  • H donors: 2 H acceptors: 5 LogP: 2.79 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(NC(=O)c1ccccc1C)Cc1ccccc1)CCC(=O)N1CCC[C@H]1C(=O)O
  • InChi: 1S/C25H28N2O5/c1-17-8-5-6-11-19(17)24(30)26-20(16-18-9-3-2-4-10-18)22(28)13-14-23(29)27-15-7-12-21(27)25(31)32/h2-6,8-11,20-21H,7,12-16H2,1H3,(H,26,30)(H,31,32)/t20?,21-/m0/s1
  • InChiKey: VAFYRBBLYXKEBH-LBAQZLPGSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens angiotensin I converting enzyme References
Homo sapiens angiotensin I converting enzyme 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) angiotensin-converting enzyme family protein Get druggable targets OG5_131988 All targets in OG5_131988
Brugia malayi Angiotensin-converting enzyme family protein Get druggable targets OG5_131988 All targets in OG5_131988
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
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0049 0.02 0.1515
Echinococcus multilocularis expressed conserved protein 0.027 0.1612 0.1607
Leishmania major 4-coumarate:coa ligase-like protein 0.0069 0.033 0.1799
Trypanosoma cruzi cysteine peptidase, putative 0.007 0.0336 0.183
Onchocerca volvulus 0.0096 0.0499 0.1693
Onchocerca volvulus 0.0091 0.047 0.1596
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0021 0.0024 0.0018
Loa Loa (eye worm) MH2 domain-containing protein 0.0131 0.0726 0.1217
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.002 0.0018 0.0068
Loa Loa (eye worm) hypothetical protein 0.0035 0.0113 0.0181
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0054 0.0234 0.0386
Onchocerca volvulus Serine\/threonine kinase homolog 0.0104 0.0551 0.1873
Brugia malayi Cytochrome P450 family protein 0.0026 0.0052 0.0077
Loa Loa (eye worm) hypothetical protein 0.0091 0.047 0.0785
Toxoplasma gondii propionate-CoA ligase 0.002 0.0018 0.0019
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0113 0.1184
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.0044 0.0211
Loa Loa (eye worm) angiotensin-converting enzyme family protein 0.0945 0.5923 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0021 0.0024 0.0179
Loa Loa (eye worm) RNA binding protein 0.0061 0.0279 0.0462
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.002 0.0018 0.0068
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0024 0.007
Leishmania major pyruvate kinase 0.0032 0.0094 0.049
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0105 0.0559 0.1365
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.0018 0.0136
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0146 0.0819 0.1375
Loa Loa (eye worm) hypothetical protein 0.0021 0.0024 0.003
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0064 0.0297 0.1615
Schistosoma mansoni carbonic anhydrase-related 0.0054 0.0234 0.0784
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0474 0.2916 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0146 0.0819 0.451
Trypanosoma brucei polo-like protein kinase 0.0104 0.0551 0.6651
Loa Loa (eye worm) pyruvate kinase-PB 0.0022 0.0032 0.0044
Plasmodium falciparum cysteine repeat modular protein 1 0.0301 0.181 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0061 0.0279 0.0462
Toxoplasma gondii microneme protein, putative 0.0121 0.0664 0.1033
Echinococcus multilocularis tar DNA binding protein 0.0061 0.0279 0.0274
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.002 0.0018 0.0068
Schistosoma mansoni pyruvate kinase 0.0032 0.0094 0.0304
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.002 0.0018 0.0136
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0024 0.003
Schistosoma mansoni carbonic anhydrase-related 0.0054 0.0234 0.0784
Loa Loa (eye worm) hypothetical protein 0.0054 0.0234 0.0386
Echinococcus multilocularis protein dispatched 1 0.0141 0.0787 0.0782
Schistosoma mansoni hypothetical protein 0.0054 0.0234 0.0784
Echinococcus multilocularis Mastin 0.0091 0.047 0.0465
Brugia malayi PAN domain containing protein 0.0121 0.0664 0.1113
Entamoeba histolytica hypothetical protein 0.0105 0.0559 0.322
Schistosoma mansoni hypothetical protein 0.0186 0.1077 0.3681
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0091 0.047 0.1596
Brugia malayi PAN domain containing protein 0.0121 0.0664 0.1113
Schistosoma mansoni cercarial elastase (S01 family) 0.0091 0.047 0.1596
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0024 0.003
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0113 0.0368
Schistosoma mansoni cercarial elastase (S01 family) 0.0091 0.047 0.1596
Entamoeba histolytica hypothetical protein 0.0105 0.0559 0.322
Echinococcus multilocularis tumor protein p63 0.0653 0.4058 0.4055
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.0551 0.8137
Loa Loa (eye worm) hypothetical protein 0.0054 0.0234 0.0386
Schistosoma mansoni cercarial elastase (S01 family) 0.0091 0.047 0.1596
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.0551 0.8137
Mycobacterium ulcerans acyl-CoA synthetase 0.0069 0.033 0.6904
Onchocerca volvulus 0.0121 0.0664 0.2262
Loa Loa (eye worm) hypothetical protein 0.0121 0.0664 0.1113
Schistosoma mansoni cercarial elastase (S01 family) 0.0091 0.047 0.1596
Loa Loa (eye worm) hypothetical protein 0.0121 0.0664 0.1113
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0091 0.047 0.1596
Leishmania major hypothetical protein, conserved 0.0301 0.181 1
Giardia lamblia Kinase, PLK 0.0104 0.0551 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0234 0.0386
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0113 0.0368
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0301 0.181 1
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0113 0.0594
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0054 0.0234 0.0386
Loa Loa (eye worm) trypsin family protein 0.0091 0.047 0.0785
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.0336 0.3966
Trypanosoma brucei unspecified product 0.0021 0.0024 0.007
Onchocerca volvulus 0.0047 0.0186 0.0619
Leishmania major cathepsin L-like protease 0.007 0.0336 0.183
Echinococcus multilocularis carbonic anhydrase II 0.0146 0.0819 0.0814
Loa Loa (eye worm) beta-lactamase 0.0035 0.0113 0.0181
Loa Loa (eye worm) hypothetical protein 0.0228 0.1347 0.2268
Brugia malayi AMP-binding enzyme family protein 0.002 0.0018 0.0021
Brugia malayi hypothetical protein 0.0105 0.0559 0.0935
Loa Loa (eye worm) TK/ROR protein kinase 0.0301 0.181 0.3049
Entamoeba histolytica hypothetical protein 0.0105 0.0559 0.322
Loa Loa (eye worm) pyruvate kinase 0.0032 0.0094 0.0149
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0024 0.007
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0024 0.0125
Echinococcus multilocularis pyruvate kinase 0.0025 0.0051 0.0045
Loa Loa (eye worm) PAN domain-containing protein 0.0121 0.0664 0.1113
Loa Loa (eye worm) hypothetical protein 0.0032 0.0094 0.0149
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0049 0.02 0.1515
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0024 0.007
Entamoeba histolytica deoxycytidyl transferase, putative 0.0021 0.0024 0.0104
Echinococcus granulosus carbonic anhydrase 0.0054 0.0234 0.0563
Toxoplasma gondii PAN domain-containing protein 0.1016 0.6377 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0049 0.02 0.1515
Trypanosoma cruzi cruzipain precursor, putative 0.007 0.0336 0.183
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0069 0.033 1
Schistosoma mansoni hypothetical protein 0.0119 0.0647 0.2205
Entamoeba histolytica acyl-coA synthetase, putative 0.0069 0.033 0.1889
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0146 0.0819 0.2795
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0279 0.0939
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.0551 0.8137
Entamoeba histolytica pyruvate kinase, putative 0.0022 0.0032 0.0152
Schistosoma mansoni carbonic anhydrase 0.0054 0.0234 0.0784
Loa Loa (eye worm) carbonic anhydrase 3 0.0146 0.0819 0.1375
Plasmodium vivax acetyl-CoA synthetase, putative 0.002 0.0018 0.0068
Echinococcus granulosus sterol regulatory element binding protein 0.0123 0.0676 0.1653
Trypanosoma cruzi hypothetical protein, conserved 0.0301 0.181 1
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.002 0.0018 0.0068
Schistosoma mansoni cercarial elastase (S01 family) 0.0091 0.047 0.1596
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.002 0.0018 0.0136
Loa Loa (eye worm) hypothetical protein 0.0052 0.0218 0.036
Brugia malayi Trypsin family protein 0.0091 0.047 0.0785
Schistosoma mansoni cellular tumor antigen P53 0.0096 0.0499 0.1693
Mycobacterium tuberculosis Conserved protein 0.0035 0.0113 0.0853
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.002 0.0018 0.0019
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.0551 0.8137
Leishmania major acetyl-CoA synthetase, putative 0.002 0.0018 0.0068
Trichomonas vaginalis pyruvate kinase, putative 0.0032 0.0094 0.1319
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.0018 0.0136
Brugia malayi Protein kinase domain containing protein 0.0301 0.181 0.3049
Onchocerca volvulus 0.0091 0.047 0.1596
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0287 0.1723 1
Loa Loa (eye worm) hypothetical protein 0.0091 0.047 0.0785
Loa Loa (eye worm) cytochrome P450 family protein 0.0054 0.0233 0.0384
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0091 0.047 0.1596
Echinococcus multilocularis Niemann Pick C1 protein 0.0287 0.1723 0.1719
Loa Loa (eye worm) cytochrome P450 family protein 0.0026 0.0052 0.0077
Loa Loa (eye worm) hypothetical protein 0.0069 0.033 0.0548
Loa Loa (eye worm) hypothetical protein 0.0024 0.0044 0.0064
Echinococcus granulosus pyruvate kinase 0.0032 0.0094 0.0218
Loa Loa (eye worm) hypothetical protein 0.0474 0.2916 0.4919
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0123 0.0676 0.1132
Loa Loa (eye worm) AMP-binding enzyme family protein 0.002 0.0018 0.0021
Loa Loa (eye worm) hypothetical protein 0.0121 0.0664 0.1113
Trypanosoma cruzi major cysteine proteinase, putative 0.0055 0.024 0.1299
Mycobacterium ulcerans hypothetical protein 0.0091 0.047 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0113 0.0181
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0279 0.0939
Echinococcus granulosus dna polymerase kappa 0.0021 0.0024 0.0044
Onchocerca volvulus 0.0121 0.0664 0.2262
Brugia malayi AMP-binding enzyme family protein 0.0069 0.033 0.0548
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.0336 0.3966
Echinococcus multilocularis dna polymerase eta 0.0021 0.0024 0.0018
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0113 0.0853
Mycobacterium leprae Probable pyruvate kinase PykA 0.0032 0.0094 0.2437
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0069 0.033 0.6904
Loa Loa (eye worm) hypothetical protein 0.0474 0.2916 0.4919
Onchocerca volvulus Pyruvate kinase homolog 0.0032 0.0094 0.0304
Loa Loa (eye worm) hypothetical protein 0.0123 0.0676 0.1132
Toxoplasma gondii ABC1 family protein 0.0035 0.0113 0.0168
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0054 0.0234 0.0386
Toxoplasma gondii PAN domain-containing protein 0.0121 0.0664 0.1033
Echinococcus multilocularis enteropeptidase 0.0091 0.047 0.0465
Trichomonas vaginalis antibiotic synthetase, putative 0.002 0.0018 0.0183
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0091 0.047 0.0785
Onchocerca volvulus 0.0121 0.0664 0.2262
Schistosoma mansoni cercarial elastase (S01 family) 0.0091 0.047 0.1596
Toxoplasma gondii 1,3(4)-beta-glucanase 0.0121 0.0664 0.1033
Toxoplasma gondii microneme protein MIC17A 0.0121 0.0664 0.1033
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0026 0.0052 0.0741
Echinococcus granulosus Niemann Pick C1 protein 0.0287 0.1723 0.4239
Loa Loa (eye worm) hypothetical protein 0.0287 0.1723 0.2903
Trypanosoma cruzi cysteine peptidase, putative 0.007 0.0336 0.183
Giardia lamblia Pyruvate kinase 0.0032 0.0094 0.1336
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.0336 0.3966
Plasmodium vivax pyruvate kinase, putative 0.0032 0.0094 0.049
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0021 0.0024 0.0062
Leishmania major DNA polymerase kappa, putative 0.0021 0.0024 0.0099
Brugia malayi Trypsin family protein 0.0091 0.047 0.0785
Brugia malayi AMP-binding enzyme family protein 0.002 0.0018 0.0021
Brugia malayi PAN domain containing protein 0.0121 0.0664 0.1113
Brugia malayi Niemann-Pick C1 protein precursor 0.0287 0.1723 0.2903
Onchocerca volvulus 0.0035 0.0113 0.0368
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0113 0.0181
Loa Loa (eye worm) PAN domain-containing protein 0.0121 0.0664 0.1113
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0104 0.0551 0.0922
Leishmania major DNA polymerase eta, putative 0.0021 0.0024 0.0099
Onchocerca volvulus 0.0121 0.0664 0.2262
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.0336 0.3966
Schistosoma mansoni hypothetical protein 0.0119 0.0647 0.2205
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0069 0.033 1
Brugia malayi Pyruvate kinase, muscle isozyme 0.0032 0.0094 0.0149
Schistosoma mansoni hypothetical protein 0.0119 0.0647 0.2205
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0024 0.0099
Brugia malayi beta-lactamase family protein 0.0035 0.0113 0.0181
Loa Loa (eye worm) hypothetical protein 0.0151 0.0853 0.1432
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0021 0.0024 0.003
Echinococcus granulosus transmembrane protease serine 3 0.0091 0.047 0.1146
Loa Loa (eye worm) AMP-binding enzyme family protein 0.002 0.0018 0.0021
Brugia malayi hypothetical protein 0.0091 0.047 0.0785
Echinococcus granulosus geminin 0.0186 0.1077 0.2644
Echinococcus granulosus tissue type plasminogen activator 0.0301 0.181 0.4451
Loa Loa (eye worm) hypothetical protein 0.0091 0.047 0.0785
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0186 0.0304
Leishmania major cathepsin L-like protease 0.007 0.0336 0.183
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0113 0.2098
Mycobacterium tuberculosis Conserved protein 0.0035 0.0113 0.0853
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0146 0.0819 0.2795
Loa Loa (eye worm) hypothetical protein 0.0121 0.0664 0.1113
Echinococcus granulosus enteropeptidase 0.0091 0.047 0.1146
Schistosoma mansoni hypothetical protein 0.0047 0.0186 0.0619
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.002 0.0018 0.0136
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0279 0.0939
Mycobacterium ulcerans acyl-CoA synthetase 0.0069 0.033 0.6904
Leishmania major cytochrome p450-like protein 0.0026 0.0052 0.0254
Mycobacterium ulcerans pyruvate kinase 0.0032 0.0094 0.1683
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0024 0.0099
Onchocerca volvulus 0.0121 0.0664 0.2262
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0024 0.007
Toxoplasma gondii microneme protein MIC17C 0.0121 0.0664 0.1033
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0032 0.0094 0.0711
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0044 0.0211
Echinococcus multilocularis sterol regulatory element binding protein 0.0123 0.0676 0.067
Loa Loa (eye worm) hypothetical protein 0.0035 0.0113 0.0181
Plasmodium falciparum carbonic anhydrase 0.0054 0.0234 0.1265
Trichomonas vaginalis antibiotic synthetase, putative 0.002 0.0018 0.0183
Plasmodium falciparum acyl-CoA synthetase 0.0052 0.0218 0.1179
Leishmania major 4-coumarate:coa ligase-like protein 0.0069 0.033 0.1799
Schistosoma mansoni terminal deoxycytidyl transferase 0.0021 0.0024 0.0062
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0113 0.0853
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.002 0.0018 0.0136
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0024 0.0099
Brugia malayi RNA binding protein 0.0061 0.0279 0.0462
Schistosoma mansoni cercarial elastase (S01 family) 0.0091 0.047 0.1596
Brugia malayi PAN domain containing protein 0.0121 0.0664 0.1113
Echinococcus multilocularis protein patched 0.0123 0.0676 0.067
Loa Loa (eye worm) TAR-binding protein 0.0061 0.0279 0.0462
Loa Loa (eye worm) PAN domain-containing protein 0.0121 0.0664 0.1113
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0052 0.0218 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.0336 0.3966
Brugia malayi PAN domain containing protein 0.0121 0.0664 0.1113
Trichomonas vaginalis conserved hypothetical protein 0.0123 0.0676 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0218 0.036
Onchocerca volvulus Pyruvate kinase homolog 0.0032 0.0094 0.0304
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0024 0.007
Brugia malayi hypothetical protein 0.0228 0.1347 0.2268
Loa Loa (eye worm) hypothetical protein 0.0035 0.0113 0.0181
Echinococcus granulosus carbonic anhydrase 0.0054 0.0234 0.0563
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.0018 0.0136
Entamoeba histolytica acyl-CoA synthetase, putative 0.0069 0.033 0.1889
Trichomonas vaginalis pyruvate kinase, putative 0.0032 0.0094 0.1319
Trypanosoma cruzi pyruvate kinase 2, putative 0.0032 0.0094 0.049
Trypanosoma cruzi polo-like protein kinase, putative 0.0104 0.0551 0.3023
Trichomonas vaginalis CAMK family protein kinase 0.0051 0.0216 0.3143
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0024 0.007
Loa Loa (eye worm) CYP4Cod1 0.0026 0.0052 0.0077
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0113 0.0107
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0024 0.007
Toxoplasma gondii pyruvate kinase PyK1 0.0032 0.0094 0.0139
Brugia malayi PAN domain containing protein 0.0121 0.0664 0.1113
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0024 0.0125
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0054 0.0234 0.0386
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0052 0.0218 0.1651
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.002 0.0018 0.003
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0024 0.007
Onchocerca volvulus 0.0091 0.047 0.1596
Brugia malayi PAN domain containing protein 0.0121 0.0664 0.1113
Mycobacterium ulcerans lipase LipD 0.0035 0.0113 0.2098
Schistosoma mansoni cercarial elastase (S01 family) 0.0091 0.047 0.1596
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.0551 0.8137
Echinococcus granulosus tumor protein p63 0.0653 0.4058 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0044 0.0211
Loa Loa (eye worm) hypothetical protein 0.002 0.0018 0.0021
Brugia malayi serine/threonine-protein kinase plk-2 0.0104 0.0551 0.0922
Trypanosoma brucei carbonic anhydrase-like protein 0.0146 0.0819 1
Brugia malayi Kringle domain containing protein 0.0301 0.181 0.3049
Brugia malayi hypothetical protein 0.0024 0.0044 0.0064
Entamoeba histolytica serine/threonine protein kinase, putative 0.0104 0.0551 0.3174
Echinococcus granulosus glycoprotein Antigen 5 0.0091 0.047 0.1146
Brugia malayi Trypsin-like protease protein 5 0.0091 0.047 0.0785
Loa Loa (eye worm) pyruvate kinase 0.0032 0.0094 0.0149
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0069 0.033 0.2495
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0113 0.0264
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0113 0.0853
Trypanosoma cruzi cysteine peptidase, putative 0.007 0.0336 0.183
Loa Loa (eye worm) pyruvate kinase 0.0032 0.0094 0.0149
Toxoplasma gondii microneme protein MIC17B 0.0121 0.0664 0.1033
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.0551 0.8137
Toxoplasma gondii kringle domain-containing protein 0.0301 0.181 0.2831
Toxoplasma gondii LsmAD domain-containing protein 0.0024 0.0044 0.006
Loa Loa (eye worm) hypothetical protein 0.0035 0.0113 0.0181
Onchocerca volvulus 0.0121 0.0664 0.2262
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0225 0.1323 1
Onchocerca volvulus 0.0301 0.181 0.6198
Toxoplasma gondii PAN/Apple domain-containing protein 0.0121 0.0664 0.1033
Trichomonas vaginalis DNA polymerase eta, putative 0.0021 0.0024 0.0267
Brugia malayi PAN domain containing protein 0.0121 0.0664 0.1113
Onchocerca volvulus 0.0121 0.0664 0.2262
Echinococcus multilocularis geminin 0.0186 0.1077 0.1072
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0113 0.1599
Onchocerca volvulus 0.0383 0.2334 0.8001
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0292 0.1752 0.5999
Mycobacterium leprae Probable lipase LipE 0.0035 0.0113 0.3039
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.0336 0.3966
Loa Loa (eye worm) hypothetical protein 0.0069 0.033 0.0548
Schistosoma mansoni cercarial elastase (S01 family) 0.0091 0.047 0.1596
Leishmania major acetyl-CoA synthetase, putative 0.002 0.0018 0.0068
Brugia malayi acetyl-Coenzyme A synthetase 2 0.002 0.0018 0.0021
Echinococcus granulosus tar DNA binding protein 0.0061 0.0279 0.0675
Loa Loa (eye worm) hypothetical protein 0.0121 0.0664 0.1113
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0024 0.007
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0105 0.0559 0.0553
Loa Loa (eye worm) hypothetical protein 0.0091 0.047 0.0785
Brugia malayi AMP-binding enzyme family protein 0.0069 0.033 0.0548
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0024 0.007
Echinococcus granulosus carbonic anhydrase 0.0054 0.0234 0.0563
Trypanosoma brucei pyruvate kinase 1 0.0032 0.0094 0.095
Echinococcus granulosus survival motor neuron protein 1 0.0228 0.1347 0.3311
Toxoplasma gondii microneme protein MIC4 0.0121 0.0664 0.1033
Trypanosoma brucei cytochrome P450, putative 0.0026 0.0052 0.0418
Schistosoma mansoni hypothetical protein 0.0091 0.047 0.1596
Toxoplasma gondii subtilisin SUB12 0.0121 0.0664 0.1033
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0052 0.0218 0.4433
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0113 0.1599
Onchocerca volvulus Pyruvate kinase homolog 0.0032 0.0094 0.0304
Onchocerca volvulus 0.0121 0.0664 0.2262
Entamoeba histolytica hypothetical protein 0.0105 0.0559 0.322
Echinococcus multilocularis survival motor neuron protein 1 0.0228 0.1347 0.1342
Schistosoma mansoni cercarial elastase (S01 family) 0.0091 0.047 0.1596
Mycobacterium ulcerans acyl-CoA synthetase 0.0069 0.033 0.6904
Leishmania major cathepsin L-like protease 0.007 0.0336 0.183
Schistosoma mansoni hypothetical protein 0.0186 0.1077 0.3681
Mycobacterium ulcerans hypothetical protein 0.0069 0.033 0.6904
Onchocerca volvulus 0.0121 0.0664 0.2262
Onchocerca volvulus 0.0121 0.0664 0.2262
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0146 0.0819 0.1375
Loa Loa (eye worm) hypothetical protein 0.0022 0.0032 0.0044
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0069 0.033 0.2495
Loa Loa (eye worm) transcription factor SMAD2 0.0131 0.0726 0.1217
Onchocerca volvulus 0.0121 0.0664 0.2262
Brugia malayi TAR-binding protein 0.0061 0.0279 0.0462
Echinococcus multilocularis carbonic anhydrase 0.0054 0.0234 0.0228
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0069 0.033 0.6904
Onchocerca volvulus 0.002 0.0018 0.0042
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0279 0.0939
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0091 0.047 0.1146
Schistosoma mansoni transcription factor LCR-F1 0.0105 0.0559 0.19
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.0336 0.3966
Mycobacterium ulcerans hypothetical protein 0.0035 0.0113 0.2098
Plasmodium falciparum pyruvate kinase 0.0032 0.0094 0.049
Echinococcus multilocularis carbonic anhydrase 0.0054 0.0234 0.0228
Trypanosoma cruzi pyruvate kinase 2, putative 0.0032 0.0094 0.049
Loa Loa (eye worm) hypothetical protein 0.002 0.0018 0.0021
Echinococcus granulosus Protein patched homolog 1 0.0123 0.0676 0.1653
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0091 0.047 0.1596
Loa Loa (eye worm) hypothetical protein 0.0052 0.0218 0.036
Toxoplasma gondii PAN domain-containing protein 0.0121 0.0664 0.1033
Brugia malayi Pyruvate kinase, M2 isozyme 0.0032 0.0094 0.0149
Brugia malayi Cytochrome P450 family protein 0.0026 0.0052 0.0077
Trichomonas vaginalis CAMK family protein kinase 0.0051 0.0216 0.3143
Trypanosoma brucei pyruvate kinase 1, putative 0.0032 0.0094 0.095
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.002 0.0018 0.0136
Brugia malayi Angiotensin-converting enzyme family protein 0.0945 0.5923 1
Toxoplasma gondii hypothetical protein 0.0121 0.0664 0.1033
Onchocerca volvulus 0.0069 0.033 0.1115
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0091 0.047 0.0465
Echinococcus granulosus carbonic anhydrase II 0.0146 0.0819 0.2008
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.002 0.0018 0.0019
Brugia malayi PAN domain containing protein 0.0121 0.0664 0.1113
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0113 0.2098
Loa Loa (eye worm) hypothetical protein 0.0035 0.0113 0.0181
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.002 0.0018 0.0068
Loa Loa (eye worm) hypothetical protein 0.0035 0.0113 0.0181
Schistosoma mansoni serine/threonine protein kinase 0.0104 0.0551 0.1873
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0091 0.047 0.1596
Echinococcus multilocularis Niemann Pick C1 protein 0.0411 0.2511 0.2507
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0104 0.0551 0.3023
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0146 0.0819 0.1375
Loa Loa (eye worm) PAN domain-containing protein 0.0121 0.0664 0.1113
Schistosoma mansoni cercarial elastase (S01 family) 0.0091 0.047 0.1596
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.002 0.0018 0.0136
Echinococcus granulosus expressed conserved protein 0.027 0.1612 0.3964
Echinococcus multilocularis pyruvate kinase 0.0032 0.0094 0.0088
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0146 0.0819 0.451
Brugia malayi beta-lactamase 0.0035 0.0113 0.0181
Brugia malayi AMP-binding enzyme family protein 0.0069 0.033 0.0548
Leishmania major 4-coumarate:coa ligase-like protein 0.0069 0.033 0.1799
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0113 0.0853
Leishmania major hypothetical protein, conserved 0.0024 0.0044 0.0211
Loa Loa (eye worm) hypothetical protein 0.0301 0.181 0.3049
Loa Loa (eye worm) oxidoreductase 0.002 0.0018 0.0021
Loa Loa (eye worm) hypothetical protein 0.0121 0.0664 0.1113
Onchocerca volvulus 0.002 0.0018 0.0042
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0113 0.1599
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0091 0.047 0.1146
Toxoplasma gondii PAN domain-containing protein 0.0121 0.0664 0.1033
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.002 0.0018 0.0071
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0113 0.1599
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0024 0.0099
Echinococcus granulosus Mastin 0.0091 0.047 0.1146
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0279 0.0939
Onchocerca volvulus 0.002 0.0018 0.0042
Schistosoma mansoni hypothetical protein 0.0119 0.0647 0.2205
Onchocerca volvulus 0.0035 0.0113 0.0368
Trypanosoma cruzi DNA polymerase eta, putative 0.0021 0.0024 0.0099
Onchocerca volvulus 0.0091 0.047 0.1596
Schistosoma mansoni hypothetical protein 0.0105 0.0559 0.19
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.002 0.0018 0.0136
Echinococcus granulosus Niemann Pick C1 protein 0.0411 0.2511 0.6182
Plasmodium vivax acyl-CoA synthetase, putative 0.0052 0.0218 0.1179
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0474 0.2916 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.0336 0.3966
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0113 0.0853
Leishmania major pyruvate kinase 0.0032 0.0094 0.049
Mycobacterium ulcerans beta-lactamase 0.0035 0.0113 0.2098
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0113 0.3039
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.002 0.0018 0.0021
Schistosoma mansoni pyruvate kinase 0.0032 0.0094 0.0304
Echinococcus multilocularis dna polymerase kappa 0.0021 0.0024 0.0018
Echinococcus multilocularis tissue type plasminogen activator 0.0301 0.181 0.1805
Entamoeba histolytica acyl-CoA synthetase, putative 0.0069 0.033 0.1889
Loa Loa (eye worm) hypothetical protein 0.0091 0.047 0.0785
Brugia malayi PAN domain containing protein 0.0121 0.0664 0.1113
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0024 0.007
Echinococcus multilocularis carbonic anhydrase 0.0054 0.0234 0.0228
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0113 0.1599
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0024 0.007
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0054 0.0234 0.0386
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0044 0.0211
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0024 0.007
Schistosoma mansoni hypothetical protein 0.0301 0.181 0.6198
Onchocerca volvulus 0.0035 0.0113 0.0368
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.0336 0.3966
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.0336 0.3966
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0113 0.0594
Toxoplasma gondii hypothetical protein 0.0054 0.0234 0.0358
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0104 0.0551 0.1345
Brugia malayi AMP-binding enzyme family protein 0.002 0.0018 0.0021
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.002 0.0018 0.0012
Brugia malayi beta-lactamase family protein 0.0035 0.0113 0.0181
Schistosoma mansoni DNA polymerase eta 0.0021 0.0024 0.0062
Trypanosoma cruzi cytochrome P450, putative 0.0026 0.0052 0.0254
Loa Loa (eye worm) hypothetical protein 0.0052 0.0218 0.036
Loa Loa (eye worm) cytochrome P450 family protein 0.0026 0.0052 0.0077
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0069 0.033 0.6904
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0021 0.0024 0.0179
Mycobacterium tuberculosis Conserved protein 0.0035 0.0113 0.0853
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.0336 0.3966
Loa Loa (eye worm) hypothetical protein 0.0121 0.0664 0.1113
Schistosoma mansoni acetyl-CoA synthetase 0.002 0.0018 0.0042
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0091 0.047 0.0465
Onchocerca volvulus 0.002 0.0018 0.0042
Onchocerca volvulus 0.0474 0.2916 1
Schistosoma mansoni hypothetical protein 0.0091 0.047 0.1596
Schistosoma mansoni kinase 0.0053 0.0225 0.0754
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0054 0.0234 0.0386
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0044 0.0211
Toxoplasma gondii hypothetical protein 0.0121 0.0664 0.1033
Echinococcus multilocularis pyruvate kinase 0.0032 0.0094 0.0088
Trichomonas vaginalis esterase, putative 0.0035 0.0113 0.1599
Brugia malayi CHE-14 protein 0.0123 0.0676 0.1132
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0113 0.0853
Echinococcus multilocularis glycoprotein Antigen 5 0.0091 0.047 0.0465
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0021 0.0024 0.0044
Brugia malayi Trypsin family protein 0.0091 0.047 0.0785
Loa Loa (eye worm) PAN domain-containing protein 0.0121 0.0664 0.1113
Echinococcus multilocularis transmembrane protease serine 3 0.0091 0.047 0.0465
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0.0044 0.0322
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.0551 0.8137
Trypanosoma cruzi cytochrome P450, putative 0.0026 0.0052 0.0254
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0021 0.0024 0.0267
Brugia malayi Cytochrome P450 family protein 0.0054 0.0233 0.0384
Toxoplasma gondii PAN domain-containing protein 0.1016 0.6377 1
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.0018 0.0136
Schistosoma mansoni carbonic anhydrase-related 0.0054 0.0234 0.0784
Loa Loa (eye worm) hypothetical protein 0.0096 0.0499 0.0833
Leishmania major carbonic anhydrase-like protein 0.0146 0.0819 0.451
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0091 0.047 0.1596
Trypanosoma cruzi polo-like protein kinase, putative 0.0104 0.0551 0.3023
Brugia malayi MH2 domain containing protein 0.0131 0.0726 0.1217
Brugia malayi RNA recognition motif domain containing protein 0.0061 0.0279 0.0462
Echinococcus granulosus pyruvate kinase 0.0032 0.0094 0.0218
Schistosoma mansoni survival motor neuron protein 0.0047 0.0186 0.0619
Leishmania major hypothetical protein, conserved 0.0035 0.0113 0.0594
Plasmodium falciparum acetyl-CoA synthetase, putative 0.002 0.0018 0.0068
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0049 0.02 0.1515
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0069 0.033 0.6904
Echinococcus granulosus dna polymerase eta 0.0021 0.0024 0.0044
Trypanosoma brucei DNA polymerase eta, putative 0.0021 0.0024 0.007
Onchocerca volvulus 0.0091 0.047 0.1596
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0113 0.0594
Brugia malayi AMP-binding enzyme family protein 0.002 0.0018 0.0021
Toxoplasma gondii PAN domain-containing protein 0.0121 0.0664 0.1033
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0113 0.0853
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0021 0.0024 0.0099
Brugia malayi Trypsin family protein 0.0474 0.2916 0.4919
Loa Loa (eye worm) hypothetical protein 0.0052 0.0218 0.036
Loa Loa (eye worm) hypothetical protein 0.0069 0.033 0.0548
Schistosoma mansoni patched 1 0.0123 0.0676 0.2302
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0104 0.0551 0.0546

Activities

Activity type Activity value Assay description Source Reference
Change (functional) = -15 mmHg Change in mean aortic blood pressure in the conscious renal hypertensive rat after oral administration of 30 mg/kg ChEMBL. 6173481
IC50 (binding) = 0.000000046 M Concentration of the compound required to inhibit the activity of Angiotensin I converting enzyme by 50% ChEMBL. 6173481
IC50 (binding) = 0.000000046 M Concentration of the compound required to inhibit the activity of Angiotensin I converting enzyme by 50% ChEMBL. 6173481
Max effect (functional) = 188 mmHg Maximum effect of 30 mg/kg administered orally on mean aortic blood pressure in the conscious renal hypertensive rat ChEMBL. 6173481

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.