Detailed information for compound 434088

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 527.116 | Formula: C27H45ClN3O5-
  • H donors: 3 H acceptors: 3 LogP: 3.81 Rotable bonds: 19
    Rule of 5 violations (Lipinski): 2
  • SMILES: COCCCOc1cc(ccc1OC)C[C@H](C(C)C)C[C@H]([C@H](C[C@H](C(=O)NCCCC#N)C)O)N.[Cl-]
  • InChi: 1S/C27H45N3O5.ClH/c1-19(2)22(16-21-9-10-25(34-5)26(17-21)35-14-8-13-33-4)18-23(29)24(31)15-20(3)27(32)30-12-7-6-11-28;/h9-10,17,19-20,22-24,31H,6-8,12-16,18,29H2,1-5H3,(H,30,32);1H/p-1/t20-,22+,23+,24+;/m1./s1
  • InChiKey: TYZLHSYLWCSTCW-QFUPZHBKSA-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
Mycobacterium tuberculosis Probable oxidoreductase 0.0019 0.0076 0.0082
Trypanosoma cruzi trypanothione reductase, putative 0.0027 0.0134 0.2094
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.1265 0.9291 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0018 0.0221
Trypanosoma cruzi aldo/keto reductase, putative 0.0019 0.0076 0.1182
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0009 0.0002 0.0002
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0028 0.0139 0.0196
Toxoplasma gondii histone lysine-specific demethylase 0.0096 0.0641 0.7962
Trichomonas vaginalis alpha-glucosidase, putative 0.001 0.0004 0.0043
Trypanosoma brucei prostaglandin f synthase 0.0019 0.0076 0.5642
Onchocerca volvulus 0.0964 0.7063 1
Onchocerca volvulus Chorion peroxidase homolog 0.0964 0.7063 1
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.001 0.0004 0.0003
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0062 0.0393 0.0423
Trichomonas vaginalis mercuric reductase, putative 0.0009 0.0002 0.0019
Trichomonas vaginalis aldo-keto reductase, putative 0.0019 0.0076 0.0934
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0019 0.0076 0.0107
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0019 0.0076 0.1182
Giardia lamblia Aldose reductase 0.0019 0.0076 1
Loa Loa (eye worm) animal heme peroxidase 0.0964 0.7063 1
Schistosoma mansoni amine oxidase 0.0096 0.0641 0.0908
Trichomonas vaginalis alpha-glucosidase, putative 0.0026 0.0125 0.155
Onchocerca volvulus Peroxidase homolog 0.0964 0.7063 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0019 0.0076 0.0107
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0009 0.0002 0.0003
Echinococcus granulosus aldo keto reductase 0.0019 0.0076 0.0107
Loa Loa (eye worm) oxidoreductase 0.0019 0.0076 0.0107
Onchocerca volvulus 0.0028 0.0139 0.0194
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0009 0.0001 0.001
Loa Loa (eye worm) hypothetical protein 0.0118 0.0805 0.114
Brugia malayi Cytochrome P450 family protein 0.0017 0.0056 0.0079
Trypanosoma cruzi UDP-galactopyranose mutase 0.0096 0.0641 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0139 0.0196
Trichomonas vaginalis aldo-keto reductase, putative 0.0019 0.0076 0.0934
Leishmania major alpha glucosidase II subunit, putative 0.0026 0.0125 0.1955
Onchocerca volvulus 0.0964 0.7063 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0019 0.0076 0.0934
Echinococcus granulosus aldo keto reductase 0.0019 0.0076 0.0107
Plasmodium vivax glutathione reductase, putative 0.0027 0.0134 0.1645
Plasmodium vivax plasmepsin V, putative 0.0028 0.0139 0.1698
Schistosoma mansoni blooms syndrome DNA helicase 0.0014 0.0033 0.0047
Loa Loa (eye worm) hypothetical protein 0.0096 0.0641 0.0908
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0019 0.0076 0.0107
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0025 0.0116 0.0165
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0019 0.0076 0.0107
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0069 0.0445 0.6938
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0126 0.0867 0.1227
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0019 0.0076 0.0107
Plasmodium falciparum plasmepsin III 0.0028 0.0139 0.1698
Loa Loa (eye worm) hypothetical protein 0.001 0.0004 0.0006
Mycobacterium leprae Conserved hypothetical protein 0.0014 0.0034 0.0533
Onchocerca volvulus 0.0019 0.0076 0.0105
Brugia malayi amine oxidase, flavin-containing family protein 0.0096 0.0641 0.0908
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0025 0.0116 0.0165
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0009 0.0002 0.5
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0096 0.0641 1
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0096 0.0641 0.7956
Loa Loa (eye worm) hypothetical protein 0.0096 0.0641 0.0908
Trichomonas vaginalis DNA helicase recq, putative 0.0017 0.006 0.0743
Loa Loa (eye worm) cytochrome P450 family protein 0.0017 0.0056 0.0079
Trypanosoma cruzi cytochrome P450, putative 0.0017 0.0056 0.0874
Echinococcus granulosus lysine specific histone demethylase 1A 0.0096 0.0641 0.0908
Loa Loa (eye worm) oxidoreductase 0.0019 0.0076 0.0107
Schistosoma mansoni pol-related 0.0019 0.0076 0.0107
Plasmodium vivax aspartyl protease, putative 0.0028 0.0139 0.1698
Onchocerca volvulus Dual oxidase homolog 0.0964 0.7063 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0052 0.0317 0.0449
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0019 0.0076 0.0934
Echinococcus granulosus lysine specific histone demethylase 1A 0.0096 0.0641 0.0908
Echinococcus multilocularis GPCR, family 3, C terminal 0.0009 0.0002 0.0002
Onchocerca volvulus Peroxidase homolog 0.0964 0.7063 1
Loa Loa (eye worm) blistered cuticle protein 3 0.0964 0.7063 1
Loa Loa (eye worm) glutathione reductase 0.0027 0.0134 0.019
Echinococcus multilocularis thioredoxin glutathione reductase 0.0028 0.0137 0.0194
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0062 0.0393 0.0423
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0096 0.0641 0.0641
Mycobacterium tuberculosis Probable dehydrogenase 0.0062 0.0393 0.0423
Loa Loa (eye worm) hypothetical protein 0.0964 0.7063 1
Schistosoma mansoni lipoxygenase 0.0052 0.0317 0.0449
Brugia malayi hypothetical protein 0.0028 0.0139 0.0196
Entamoeba histolytica aldose reductase, putative 0.0019 0.0076 0.6026
Echinococcus multilocularis lysosomal alpha glucosidase 0.0118 0.0803 0.1137
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0009 0.0002 0.0003
Onchocerca volvulus 0.0964 0.7063 1
Onchocerca volvulus 0.0019 0.0076 0.0105
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0019 0.0076 0.0107
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0009 0.0002 0.0002
Mycobacterium ulcerans oxidoreductase 0.0096 0.0641 0.0641
Toxoplasma gondii aspartyl protease 0.0028 0.0139 0.172
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0028 0.0139 0.0196
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0009 0.0002 0.0033
Echinococcus granulosus bloom syndrome protein 0.0017 0.006 0.0086
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0009 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0964 0.7063 1
Trypanosoma cruzi trypanothione reductase, putative 0.0009 0.0002 0.0033
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0118 0.0805 1
Plasmodium falciparum glutathione reductase 0.0027 0.0134 0.1645
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0009 0.0001 0.0047
Trichomonas vaginalis maltase-glucoamylase, putative 0.001 0.0004 0.0043
Trypanosoma brucei trypanothione reductase 0.0027 0.0134 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0028 0.0139 0.0196
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0009 0.0002 0.0003
Trichomonas vaginalis aldo-keto reductase, putative 0.0019 0.0076 0.0934
Loa Loa (eye worm) hypothetical protein 0.0964 0.7063 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0026 0.0125 0.155
Brugia malayi aspartic protease BmAsp-1, identical 0.0028 0.0139 0.0196
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0009 0.0002 0.0033
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0019 0.0076 0.0107
Mycobacterium ulcerans oxidoreductase 0.0019 0.0076 0.0076
Trichomonas vaginalis aldo-keto reductase, putative 0.0019 0.0076 0.0934
Onchocerca volvulus 0.0096 0.0641 0.0906
Echinococcus multilocularis aldo keto reductase 0.0019 0.0076 0.0107
Loa Loa (eye worm) jmjC domain-containing protein 0.0025 0.0116 0.0165
Schistosoma mansoni alpha glucosidase 0.0026 0.0125 0.0177
Plasmodium falciparum thioredoxin reductase 0.0027 0.0134 0.1645
Loa Loa (eye worm) oxidoreductase 0.0019 0.0076 0.0107
Brugia malayi Glycosyl hydrolases family 31 protein 0.0118 0.0803 0.1137
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0028 0.0139 0.0196
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.001 0.0004 0.0274
Schistosoma mansoni metabotropic glutamate receptor 0.0015 0.0042 0.0059
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0019 0.0076 0.0107
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0062 0.0393 0.0423
Brugia malayi Thioredoxin reductase 0.0027 0.0134 0.019
Schistosoma mansoni alpha-glucosidase 0.0101 0.0682 0.0965
Trichomonas vaginalis alpha-glucosidase, putative 0.001 0.0004 0.0043
Brugia malayi Animal haem peroxidase family protein 0.0964 0.7063 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0026 0.0125 0.0177
Brugia malayi hypothetical protein 0.0964 0.7063 1
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.001 0.0004 0.0063
Plasmodium falciparum plasmepsin IX 0.0028 0.0139 0.1698
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0019 0.0076 0.0934
Brugia malayi Animal haem peroxidase family protein 0.0964 0.7063 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0009 0.0002 0.0027
Toxoplasma gondii eukaryotic aspartyl protease superfamily protein 0.0028 0.0139 0.172
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0009 0.0001 0.001
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0019 0.0076 0.0107
Echinococcus granulosus peroxidasin 0.0964 0.7063 1
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0096 0.0641 0.0908
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0052 0.0317 0.0449
Schistosoma mansoni amine oxidase 0.0096 0.0641 0.0908
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0096 0.0641 0.7956
Loa Loa (eye worm) aspartyl protease 6 0.0028 0.0139 0.0196
Schistosoma mansoni cathepsin D (A01 family) 0.0348 0.2506 0.3549
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0012 0.0019 0.0208
Loa Loa (eye worm) oxidoreductase 0.0019 0.0076 0.0107
Leishmania major cytochrome p450-like protein 0.0017 0.0056 0.0874
Schistosoma mansoni aldo-keto reductase 0.0019 0.0076 0.0107
Toxoplasma gondii aspartyl protease ASP3 0.0028 0.0139 0.172
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0009 0.0002 0.0033
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0009 0.0002 0.0033
Trichomonas vaginalis aldo-keto reductase, putative 0.0019 0.0076 0.0934
Trichomonas vaginalis aldo-keto reductase, putative 0.0019 0.0076 0.0934
Loa Loa (eye worm) oxidoreductase 0.0019 0.0076 0.0107
Loa Loa (eye worm) cytochrome P450 family protein 0.0026 0.0125 0.0176
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0019 0.0076 0.0934
Trichomonas vaginalis alpha-glucosidase, putative 0.0026 0.0125 0.155
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0019 0.0076 0.1182
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0019 0.0076 0.0107
Brugia malayi SWIRM domain containing protein 0.0096 0.0641 0.0908
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0009 0.0002 0.0003
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0118 0.0805 0.114
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0009 0.0002 0.0033
Echinococcus multilocularis neutral alpha glucosidase AB 0.0026 0.0125 0.0177
Trypanosoma brucei cytochrome P450, putative 0.0017 0.0056 0.4175
Loa Loa (eye worm) glutamate receptor 0.0009 0.0002 0.0002
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0026 0.0125 0.155
Loa Loa (eye worm) hypothetical protein 0.0964 0.7063 1
Loa Loa (eye worm) hypothetical protein 0.0964 0.7063 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0019 0.0076 0.0107
Loa Loa (eye worm) hypothetical protein 0.0019 0.0076 0.0107
Echinococcus granulosus lysosomal alpha glucosidase 0.0118 0.0803 0.1137
Loa Loa (eye worm) hypothetical protein 0.0964 0.7063 1
Trichomonas vaginalis alpha-glucosidase, putative 0.001 0.0004 0.0043
Loa Loa (eye worm) animal heme peroxidase 0.0964 0.7063 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0118 0.0803 0.1137
Loa Loa (eye worm) hypothetical protein 0.0964 0.7063 1
Plasmodium falciparum protoporphyrinogen oxidase 0.0096 0.0641 0.7956
Onchocerca volvulus 0.0019 0.0076 0.0105
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0019 0.0076 0.0107
Trichomonas vaginalis aldo/keto reductase, putative 0.0019 0.0076 0.0934
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0026 0.0125 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0118 0.0805 0.114
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0026 0.0125 0.155
Trichomonas vaginalis alpha-glucosidase, putative 0.0026 0.0125 0.155
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0019 0.0076 0.0107
Leishmania major glycosyl hydrolase-like protein 0.001 0.0004 0.0063
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0028 0.0139 0.0196
Entamoeba histolytica aldose reductase, putative 0.0019 0.0076 0.6026
Chlamydia trachomatis protoporphyrinogen oxidase 0.0096 0.0641 1
Loa Loa (eye worm) hypothetical protein 0.0964 0.7063 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.0002 0.0002
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0019 0.0076 0.0107
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0019 0.0076 0.0107
Trypanosoma brucei aldo-keto reductase, putative 0.0019 0.0076 0.5642
Trichomonas vaginalis DNA helicase recq1, putative 0.0017 0.006 0.0743
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.001 0.0004 0.0063
Plasmodium falciparum plasmepsin VIII, putative 0.0028 0.0139 0.1698
Mycobacterium tuberculosis Conserved hypothetical protein 0.0096 0.0641 0.069
Echinococcus granulosus lysine specific demethylase 5A 0.0025 0.0116 0.0165
Brugia malayi hypothetical protein 0.0096 0.0641 0.0908
Trichomonas vaginalis glutathione reductase, putative 0.0009 0.0002 0.0019
Loa Loa (eye worm) hypothetical protein 0.0096 0.0641 0.0908
Brugia malayi aspartic protease BmAsp-2, identical 0.0028 0.0139 0.0196
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0019 0.0076 0.0107
Onchocerca volvulus 0.0068 0.0436 0.0615
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0015 0.0042 0.0059
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0017 0.0056 0.0056
Trypanosoma cruzi cytochrome P450, putative 0.0017 0.0056 0.0874
Brugia malayi metabotropic glutamate receptor type 2 0.0015 0.0042 0.0059
Onchocerca volvulus 0.0019 0.0076 0.0105
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0028 0.0139 0.0196
Plasmodium falciparum plasmepsin I 0.0118 0.0805 1
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0015 0.0045 0.0531
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.136 1 1
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0096 0.0641 0.7962
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0019 0.0076 0.0107
Brugia malayi Eukaryotic aspartyl protease family protein 0.0028 0.0139 0.0196
Echinococcus multilocularis bloom syndrome protein 0.0017 0.006 0.0086
Brugia malayi Animal haem peroxidase family protein 0.0964 0.7063 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0019 0.0076 0.0107
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0059
Loa Loa (eye worm) CYP4Cod1 0.0017 0.0056 0.0079
Echinococcus multilocularis aldo keto reductase 0.0019 0.0076 0.0107
Loa Loa (eye worm) cytochrome P450 family protein 0.0017 0.0056 0.0079
Trichomonas vaginalis alpha-glucosidase, putative 0.001 0.0004 0.0043
Echinococcus granulosus aldehyde reductase 0.0014 0.0034 0.0048
Loa Loa (eye worm) hypothetical protein 0.0964 0.7063 1
Schistosoma mansoni hypothetical protein 0.0009 0.0002 0.0002
Plasmodium vivax hypothetical protein, conserved 0.0096 0.0641 0.7956
Brugia malayi glutathione reductase 0.0027 0.0134 0.019
Plasmodium vivax aspartyl proteinase, putative 0.0118 0.0805 1
Loa Loa (eye worm) animal heme peroxidase 0.0964 0.7063 1
Brugia malayi hypothetical protein 0.0028 0.0139 0.0196
Echinococcus multilocularis aldehyde reductase 0.0014 0.0034 0.0048
Trichomonas vaginalis aldo-keto reductase, putative 0.0019 0.0076 0.0934
Onchocerca volvulus 0.0019 0.0076 0.0105
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0026 0.0125 1
Onchocerca volvulus 0.0028 0.0139 0.0194
Schistosoma mansoni peroxidasin 0.0964 0.7063 1
Toxoplasma gondii aldose reductase, putative 0.0019 0.0076 0.0941
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0009 0.0002 0.0033
Plasmodium falciparum plasmepsin X 0.0028 0.0139 0.1698
Loa Loa (eye worm) hypothetical protein 0.0096 0.0641 0.0908
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0019 0.0076 0.0107
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0019 0.0076 0.1182
Loa Loa (eye worm) glutamate receptor 0.0015 0.0042 0.0059
Leishmania major aldo-keto reductase-like protein 0.0019 0.0076 0.1182
Echinococcus multilocularis aldo keto reductase 0.0019 0.0076 0.0107
Toxoplasma gondii aspartyl protease ASP1 0.0118 0.0805 1
Entamoeba histolytica aldose reductase, putative 0.0019 0.0076 0.6026
Brugia malayi jmjC domain containing protein 0.0025 0.0116 0.0165
Loa Loa (eye worm) hypothetical protein 0.0964 0.7063 1
Onchocerca volvulus 0.0019 0.0076 0.0105
Mycobacterium tuberculosis Probable oxidoreductase 0.0069 0.0445 0.0479
Echinococcus granulosus aldo keto reductase 0.0019 0.0076 0.0107
Schistosoma mansoni aldo-keto reductase 0.0019 0.0076 0.0107
Loa Loa (eye worm) hypothetical protein 0.0964 0.7063 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0139 0.0196
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0009 0.0002 0.0033
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0019 0.0076 0.0107
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0028 0.0139 0.0196
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0019 0.0076 0.0107
Plasmodium falciparum plasmepsin VII 0.0028 0.0139 0.1698
Trichomonas vaginalis aldo-keto reductase, putative 0.0019 0.0076 0.0934
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0096 0.0641 0.0908
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0026 0.0125 0.0177
Trichomonas vaginalis alpha-glucosidase, putative 0.001 0.0004 0.0043
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0069 0.0445 0.0479
Echinococcus granulosus hypothetical protein 0.0019 0.0076 0.0107
Schistosoma mansoni cathepsin D (A01 family) 0.0348 0.2506 0.3549
Treponema pallidum NADH oxidase 0.0009 0.0002 0.5
Trypanosoma cruzi aldo-keto reductase 0.0019 0.0076 0.1182
Loa Loa (eye worm) hypothetical protein 0.0096 0.0641 0.0908
Schistosoma mansoni jumonji domain containing protein 0.0025 0.0116 0.0165
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.001 0.0004 0.0043
Brugia malayi Bloom's syndrome protein homolog 0.0017 0.006 0.0086
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0028 0.0139 0.0196
Schistosoma mansoni amine GPCR 0.0096 0.0645 0.0914
Echinococcus multilocularis aldo keto reductase 0.0019 0.0076 0.0107
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0118 0.0805 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0059
Brugia malayi Animal haem peroxidase family protein 0.0964 0.7063 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0019 0.0076 0.0107
Plasmodium vivax aspartyl protease, putative 0.0028 0.0139 0.1698
Loa Loa (eye worm) hypothetical protein 0.0964 0.7063 1
Echinococcus multilocularis peroxidasin 0.0964 0.7063 1
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0065 0.0416 0.0589
Trichomonas vaginalis aldo-keto reductase, putative 0.0019 0.0076 0.0934
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0069 0.0445 0.0479
Plasmodium falciparum plasmepsin II 0.0118 0.0805 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0019 0.0076 0.0934
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0118 0.0805 0.114
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0118 0.0805 0.114
Brugia malayi Glycosyl hydrolases family 31 protein 0.001 0.0004 0.0006
Loa Loa (eye worm) RecQ helicase 0.0017 0.006 0.0086
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0096 0.0641 0.0908
Trichomonas vaginalis sucrase-isomaltase, putative 0.0026 0.0125 0.155
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0009 0.0002 0.0033
Brugia malayi Receptor family ligand binding region containing protein 0.0065 0.0416 0.0589
Echinococcus granulosus neutral alpha glucosidase AB 0.0026 0.0125 0.0177
Brugia malayi Peroxidasin 0.0964 0.7063 1
Toxoplasma gondii thioredoxin reductase 0.0027 0.0134 0.1668
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0009 0.0002 0.016
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0009 0.0002 0.0033
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0026 0.0125 0.1556
Loa Loa (eye worm) hypothetical protein 0.0964 0.7063 1
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0132 0.0907 0.1284
Echinococcus granulosus metabotropic glutamate receptor 5 0.0015 0.0042 0.0059
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0027 0.0134 0.0145
Schistosoma mansoni alpha-glucosidase 0.0101 0.0682 0.0965
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0009 0.0002 0.0002
Trypanosoma brucei glucosidase, putative 0.0026 0.0125 0.9333
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0009 0.0002 0.016
Mycobacterium tuberculosis Probable reductase 0.0062 0.0393 0.0423
Brugia malayi Metabotropic glutamate receptor precursor. 0.0015 0.0042 0.0059
Echinococcus multilocularis protoporphyrinogen oxidase 0.0096 0.0641 0.0908
Loa Loa (eye worm) hypothetical protein 0.0096 0.0641 0.0908
Plasmodium vivax thioredoxin reductase, putative 0.0027 0.0134 0.1645
Schistosoma mansoni peroxidasin 0.0964 0.7063 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0019 0.0076 0.0107
Brugia malayi Cytochrome P450 family protein 0.0026 0.0125 0.0176
Giardia lamblia Aldose reductase 0.0019 0.0076 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0009 0.0002 0.0033
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0009 0.0002 0.016
Trichomonas vaginalis aldo-keto reductase, putative 0.0019 0.0076 0.0934
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0062 0.0393 0.6135
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0096 0.0641 0.7956
Leishmania major prostaglandin f synthase, putative 0.0019 0.0076 0.1182
Brugia malayi jmjC domain containing protein 0.0025 0.0116 0.0165
Trypanosoma cruzi hypothetical protein, conserved 0.0026 0.0125 0.1955
Toxoplasma gondii NADPH-glutathione reductase 0.0009 0.0002 0.0027
Onchocerca volvulus Peroxidasin homolog 0.0964 0.7063 1
Leishmania major UDP-galactopyranose mutase 0.0096 0.0641 1
Leishmania major trypanothione reductase 0.0027 0.0134 0.2094
Mycobacterium ulcerans dehydrogenase 0.0096 0.0641 0.0641
Echinococcus multilocularis 0.0096 0.0641 0.0908
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0009 0.0002 0.016
Trichomonas vaginalis maltase-glucoamylase, putative 0.0026 0.0125 0.155
Mycobacterium tuberculosis Possible oxidoreductase 0.0096 0.0641 0.069
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0009 0.0002 0.0002
Echinococcus multilocularis lysine specific demethylase 5A 0.0025 0.0116 0.0165
Plasmodium falciparum plasmepsin IV 0.0118 0.0805 1
Onchocerca volvulus Peroxidasin homolog 0.0964 0.7063 1
Mycobacterium ulcerans monoamine oxidase 0.0096 0.0641 0.0641
Trypanosoma brucei glycosyl hydrolase-like protein 0.001 0.0004 0.0302
Schistosoma mansoni jumonji/arid domain-containing protein 0.0025 0.0116 0.0165
Plasmodium vivax hypothetical protein, conserved 0.0096 0.0641 0.7956
Trypanosoma cruzi hypothetical protein, conserved 0.0026 0.0125 0.1955
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0096 0.0641 0.7956
Trichomonas vaginalis aldo/keto reductase, putative 0.0019 0.0076 0.0934
Loa Loa (eye worm) animal heme peroxidase 0.0964 0.7063 1
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0028 0.0139 0.0196
Plasmodium vivax aspartyl protease, putative 0.0028 0.0139 0.1698
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0009 0.0002 0.0033
Plasmodium falciparum plasmepsin V 0.0028 0.0139 0.1698
Brugia malayi Blistered cuticle protein 3 0.0964 0.7063 1
Brugia malayi Animal haem peroxidase family protein 0.0964 0.7063 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0028 0.0137 0.0194
Trichomonas vaginalis alpha-glucosidase, putative 0.0026 0.0125 0.155
Loa Loa (eye worm) hypothetical protein 0.0964 0.7063 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0025 0.0116 0.0165
Schistosoma mansoni lipoxygenase 0.0036 0.0201 0.0285
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0118 0.0803 0.1137
Plasmodium vivax aspartyl proteinase, putative 0.0028 0.0139 0.1698
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.001 0.0004 0.0043
Plasmodium vivax plasmepsin IV, putative 0.0118 0.0805 1
Trypanosoma cruzi UDP-galactopyranose mutase 0.0096 0.0641 1
Plasmodium falciparum plasmepsin VI 0.0118 0.0805 1
Loa Loa (eye worm) thioredoxin reductase 0.0027 0.0134 0.019
Schistosoma mansoni memapsin-2 (A01 family) 0.0028 0.0139 0.0196
Echinococcus granulosus GPCR family 3 C terminal 0.0009 0.0002 0.0002
Brugia malayi Pepsin A precursor 0.0028 0.0139 0.0196
Trichomonas vaginalis aldo-keto reductase, putative 0.0019 0.0076 0.0934
Brugia malayi Cytochrome P450 family protein 0.0017 0.0056 0.0079
Loa Loa (eye worm) hypothetical protein 0.0087 0.0578 0.0818
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0009 0.0002 0.0033
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0062 0.0393 0.0423
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0019 0.0076 0.0107
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0009 0.0002 0.0002
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0009 0.0002 0.5

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) 0 Inhibition of pig pepsin at 10 uM ChEMBL. 17824679
Activity (binding) 0 Inhibition of bovine cathepsin D at 10 uM ChEMBL. 17824679
IC50 (binding) = 1 nM Inhibition of human recombinant renin at pH 7.2 after 1 hr by radioimmunoassay method ChEMBL. 17824679
IC50 (binding) = 3 nM Inhibition of human plasma renin after 1 hr by radioimmunoassay method ChEMBL. 17824679
IC50 (binding) = 3 nM Inhibition of marmoset plasma renin after 1 hr by radioimmunoassay method ChEMBL. 17824679

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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