Detailed information for compound 167276

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 414.208 | Formula: C15H16BrN3O6
  • H donors: 2 H acceptors: 4 LogP: -0.39 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC1=C(Br)C(=O)C2=C(C1=O)[C@H](COC(=O)N)[C@@]1(N2C[C@H]2[C@@H]1N2C)O
  • InChi: 1S/C15H16BrN3O6/c1-18-6-3-19-9-7(10(20)12(24-2)8(16)11(9)21)5(4-25-14(17)22)15(19,23)13(6)18/h5-6,13,23H,3-4H2,1-2H3,(H2,17,22)/t5-,6-,13-,15+,18?/m0/s1
  • InChiKey: ZOCLPUGUKPHROI-ROPDBKEWSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0252 0.0864 0.3075
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0028 0.0042 0.0061
Onchocerca volvulus 0.0087 0.0257 0.0507
Brugia malayi 6-phosphofructokinase 0.0128 0.0408 0.0599
Brugia malayi Bloom's syndrome protein homolog 0.0025 0.003 0.0043
Toxoplasma gondii aminopeptidase N protein 0.2745 1 1
Echinococcus granulosus 6 phosphofructokinase 0.0128 0.0408 0.0416
Trypanosoma brucei aspartyl aminopeptidase, putative 0.0074 0.0209 0.0813
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0252 0.0864 0.3104
Mycobacterium tuberculosis Probable oxidoreductase 0.028 0.0967 0.3483
Toxoplasma gondii PAN domain-containing protein 0.0017 0.0001 0.0001
Onchocerca volvulus Matrilysin homolog 0.0021 0.0014 0.0027
Brugia malayi hypothetical protein 0.1874 0.6809 1
Loa Loa (eye worm) hypothetical protein 0.0966 0.348 0.3559
Plasmodium falciparum thioredoxin reductase 0.0038 0.008 0.0061
Loa Loa (eye worm) intermediate filament protein 0.0031 0.0054 0.0055
Leishmania major ATP-dependent phosphofructokinase 0.0128 0.0408 0.1668
Plasmodium falciparum flap endonuclease 1 0.0031 0.0052 0.0033
Trypanosoma cruzi Cysteine peptidase, Clan CF, family C15 0.0506 0.1793 0.761
Leishmania major cytosolic leucyl aminopeptidase,metallo-peptidase, Clan MF, Family M17 0.0554 0.1971 0.8373
Echinococcus granulosus histone lysine methyltransferase setb 0.0035 0.0066 0.0067
Toxoplasma gondii PAN/Apple domain-containing protein 0.0017 0.0001 0.0001
Brugia malayi hypothetical protein 0.0143 0.0464 0.0681
Brugia malayi Flap endonuclease-1 0.0031 0.0052 0.0075
Trypanosoma brucei aminopeptidase, putative 0.011 0.0344 0.1393
Brugia malayi hypothetical protein 0.003 0.0048 0.0069
Echinococcus multilocularis apoptotic protease activating factor 1 0.0066 0.0181 0.0184
Plasmodium falciparum M18 aspartyl aminopeptidase 0.0074 0.0209 0.019
Trypanosoma cruzi metallo-peptidase, Clan MH, Family M20 0.0074 0.0209 0.0813
Loa Loa (eye worm) hypothetical protein 0.0074 0.0209 0.0213
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0048 0.0123
Onchocerca volvulus 0.1397 0.506 1
Toxoplasma gondii PAN domain-containing protein 0.0017 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0739 0.2649 0.2709
Toxoplasma gondii aminopeptidase N, putative 0.2745 1 1
Loa Loa (eye worm) hypothetical protein 0.0227 0.077 0.0787
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.028 0.0967 0.3456
Schistosoma mansoni lamin 0.0031 0.0054 0.0054
Toxoplasma gondii subtilisin SUB12 0.0017 0.0001 0.0001
Mycobacterium tuberculosis Probable aminopeptidase PepB 0.0764 0.274 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0038 0.008 0.0222
Schistosoma mansoni inhibitor of apoptosis (iap) domain family member 0.0087 0.0257 0.0262
Toxoplasma gondii thioredoxin reductase 0.0111 0.0345 0.0345
Echinococcus granulosus caspase 2 0.0066 0.0181 0.0184
Brugia malayi Cell death protein 3 precursor 0.0066 0.0181 0.0265
Plasmodium falciparum thioredoxin reductase 0.0111 0.0345 0.0326
Echinococcus multilocularis tissue type plasminogen activator 0.006 0.0161 0.0163
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0252 0.0864 0.3104
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0066 0.02
Giardia lamblia NADH oxidase lateral transfer candidate 0.0038 0.008 1
Echinococcus multilocularis leucyl aminopeptidase 0.011 0.0344 0.0351
Leishmania major pyroglutamyl-peptidase I (C15 family) 0.0506 0.1793 0.761
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17 0.011 0.0344 0.1393
Brugia malayi exodeoxyribonuclease III family protein 0.0022 0.0019 0.0027
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0049 0.0118 0.0119
Echinococcus granulosus bloom syndrome protein 0.0025 0.003 0.003
Trichomonas vaginalis hypothetical protein 0.0034 0.0066 0.0198
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0025 0.0031 0.0044
Trichomonas vaginalis phosphofructokinase, putative 0.0128 0.0408 0.1668
Toxoplasma gondii microneme protein MIC17A 0.0017 0.0001 0.0001
Entamoeba histolytica phosphofructokinase, putative 0.0128 0.0408 0.1668
Plasmodium vivax flap endonuclease 1, putative 0.0031 0.0052 0.0051
Brugia malayi Matrixin family protein 0.0021 0.0014 0.002
Trichomonas vaginalis phosphofructokinase, putative 0.0128 0.0408 0.1668
Echinococcus multilocularis 6 phosphofructokinase 0.0128 0.0408 0.0416
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0074 0.0209 0.0813
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 0.011 0.0344 0.1393
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0042 0.0094 0.0095
Echinococcus granulosus apoptotic protease activating factor 1 0.0066 0.0181 0.0184
Schistosoma mansoni hypothetical protein 0.0066 0.0181 0.0184
Toxoplasma gondii hypothetical protein 0.0017 0.0001 0.0001
Echinococcus multilocularis Ankyrin 0.0017 0.0002 0.0001
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0035 0.0066 0.0067
Echinococcus granulosus aminopeptidase N 0.1397 0.506 0.5174
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0048 0.0029
Echinococcus multilocularis lamin dm0 0.0031 0.0054 0.0054
Mycobacterium ulcerans leucyl aminopeptidase 0.0764 0.274 1
Trypanosoma brucei aspartyl aminopeptidase, putative 0.0074 0.0209 0.0813
Leishmania major aspartyl aminopeptidase, putative,metallo-peptidase, Clan MH, Family M20 0.0074 0.0209 0.0813
Brugia malayi hypothetical protein 0.0431 0.1519 0.223
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0022 0.0019 0.0019
Echinococcus granulosus leukotriene A 4 hydrolase 0.2684 0.9778 1
Echinococcus granulosus baculoviral IAP repeat containing protein 0.0087 0.0257 0.0262
Schistosoma mansoni aspartyl aminopeptidase (M18 family) 0.0074 0.0209 0.0212
Trichomonas vaginalis phosphofructokinase, putative 0.0128 0.0408 0.1668
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0087 0.0257 0.0262
Loa Loa (eye worm) TK/ROR protein kinase 0.006 0.0161 0.0164
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0431 0.1519 0.6436
Brugia malayi Pre-SET motif family protein 0.0035 0.0066 0.0097
Echinococcus granulosus tissue type plasminogen activator 0.006 0.0161 0.0163
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0066 0.02
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0034 0.0066 0.0198
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0038 0.008 0.008
Toxoplasma gondii microneme protein MIC17B 0.0017 0.0001 0.0001
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0658 0.235 0.2402
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0038 0.008 0.0259
Brugia malayi Immunoglobulin I-set domain containing protein 0.0017 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0087 0.0257 0.0262
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17 0.011 0.0344 0.1393
Plasmodium vivax 6-phosphofructokinase, putative 0.0035 0.0066 0.0065
Loa Loa (eye worm) RecQ helicase 0.0025 0.003 0.003
Trichomonas vaginalis flap endonuclease-1, putative 0.0031 0.0052 0.0138
Loa Loa (eye worm) POT family protein 0.0048 0.0115 0.0117
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0252 0.0864 0.3104
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17 0.011 0.0344 0.1393
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0658 0.235 0.2402
Loa Loa (eye worm) hypothetical protein 0.0021 0.0014 0.0014
Entamoeba histolytica hypothetical protein 0.0042 0.0094 0.0322
Schistosoma mansoni ankyrin 23/unc44 0.0017 0.0001 0.0000000091267
Plasmodium vivax M18 aspartyl aminopeptidase, putative 0.0074 0.0209 0.0208
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0038 0.008 0.008
Trichomonas vaginalis DNA helicase recq, putative 0.0025 0.003 0.0046
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.0019 0.0019
Onchocerca volvulus 0.0066 0.0181 0.0357
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0031 0.0052 0.0138
Brugia malayi Kringle domain containing protein 0.006 0.0161 0.0235
Loa Loa (eye worm) hypothetical protein 0.0373 0.1308 0.1337
Trichomonas vaginalis phosphofructokinase, putative 0.0128 0.0408 0.1668
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0066 0.0198
Schistosoma mansoni flap endonuclease-1 0.0028 0.0041 0.004
Schistosoma mansoni 6-phosphofructokinase 0.0128 0.0408 0.0416
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0128 0.0408 0.1668
Brugia malayi Aminopeptidase ZK353.6 in chromosome III 0.011 0.0344 0.0504
Onchocerca volvulus Matrix metalloproteinase homolog 0.0046 0.0106 0.0208
Mycobacterium ulcerans aminopeptidase N PepN 0.0658 0.235 0.8564
Onchocerca volvulus Netrin receptor homolog 0.0017 0.0001 0.0001
Echinococcus multilocularis baculoviral IAP repeat containing protein 0.0087 0.0257 0.0262
Schistosoma mansoni caspase-7 (C14 family) 0.0066 0.0181 0.0184
Loa Loa (eye worm) hypothetical protein 0.0066 0.0181 0.0185
Onchocerca volvulus 0.0275 0.0949 0.1874
Mycobacterium leprae Probable cytosol aminopeptidase PepB 0.0764 0.274 1
Brugia malayi Pre-SET motif family protein 0.0242 0.0826 0.1212
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0431 0.1519 0.1553
Plasmodium vivax thioredoxin reductase, putative 0.0111 0.0345 0.0344
Entamoeba histolytica aminopeptidase, putative 0.0074 0.0209 0.0813
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0022 0.0019 0.0019
Echinococcus multilocularis leucyl aminopeptidase 0.011 0.0344 0.0351
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0038 0.008 0.0259
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0048 0.0123
Trypanosoma brucei trypanothione reductase 0.0111 0.0345 0.1396
Entamoeba histolytica phosphofructokinase, putative 0.0128 0.0408 0.1668
Loa Loa (eye worm) aminopeptidase in chromosome III 0.011 0.0344 0.0351
Loa Loa (eye worm) phosphofructokinase 0.0128 0.0408 0.0417
Brugia malayi TATA binding protein associated factor 0.0431 0.1519 0.223
Loa Loa (eye worm) aminopeptidase N 0.0658 0.235 0.2403
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0658 0.235 1
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0128 0.0408 0.1429
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0658 0.235 0.2402
Entamoeba histolytica hypothetical protein 0.0042 0.0094 0.0322
Schistosoma mansoni transcription factor LCR-F1 0.0042 0.0094 0.0095
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0666 0.2381 0.2434
Loa Loa (eye worm) hypothetical protein 0.0431 0.1519 0.1553
Schistosoma mansoni leucine aminopeptidase 0.011 0.0344 0.0351
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.2745 1 1
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0028 0.0042 0.0061
Plasmodium falciparum cysteine repeat modular protein 1 0.006 0.0161 0.0142
Schistosoma mansoni aspartyl aminopeptidase (M18 family) 0.0074 0.0209 0.0212
Echinococcus granulosus leucyl aminopeptidase 0.011 0.0344 0.0351
Echinococcus multilocularis inhibitor of apoptosis protein 0.0087 0.0257 0.0262
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0017 0.0002 0.0001
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0022 0.0019 0.0019
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0035 0.0066 0.0047
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0658 0.235 0.2402
Onchocerca volvulus 0.0035 0.0066 0.013
Brugia malayi phosphofructokinase 0.0128 0.0408 0.0599
Toxoplasma gondii microneme protein, putative 0.0017 0.0001 0.0001
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0658 0.235 1
Entamoeba histolytica aspartyl aminopeptidase, putative 0.0074 0.0209 0.0813
Echinococcus granulosus leucyl aminopeptidase 0.011 0.0344 0.0351
Echinococcus multilocularis aminopeptidase N 0.1397 0.506 0.5174
Mycobacterium ulcerans 6-phosphofructokinase 0.0128 0.0408 0.1429
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0066 0.0067
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0431 0.1519 0.1518
Loa Loa (eye worm) flap endonuclease-1 0.0031 0.0052 0.0052
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0034 0.0066 0.0198
Brugia malayi glutathione reductase 0.0111 0.0345 0.0505
Loa Loa (eye worm) hypothetical protein 0.0021 0.0014 0.0014
Loa Loa (eye worm) hypothetical protein 0.0025 0.0031 0.0031
Trypanosoma brucei Aminopeptidase M1, putative 0.0658 0.235 1
Echinococcus multilocularis aspartyl aminopeptidase 0.0074 0.0209 0.0212
Schistosoma mansoni aminopeptidase A (M01 family) 0.0431 0.1519 0.1553
Brugia malayi Aminopeptidase W07G4.4 in chromosome V 0.011 0.0344 0.0504
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0038 0.008 0.0222
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0066 0.02
Brugia malayi hypothetical protein 0.0658 0.235 0.345
Entamoeba histolytica aminopeptidase, putative 0.0658 0.235 1
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0431 0.1519 0.6436
Loa Loa (eye worm) 6-phosphofructokinase 0.0128 0.0408 0.0417
Brugia malayi 6-phosphofructokinase 0.0128 0.0408 0.0599
Loa Loa (eye worm) hypothetical protein 0.0227 0.077 0.0787
Brugia malayi Protein kinase domain containing protein 0.0017 0.0001 0.0001
Toxoplasma gondii leucyl aminopeptidase LAP 0.0764 0.274 0.274
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0035 0.0066 0.02
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0658 0.235 0.2402
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0038 0.008 0.0259
Brugia malayi Hemopexin family protein 0.0029 0.0046 0.0066
Entamoeba histolytica Flap nuclease, putative 0.0031 0.0052 0.0138
Toxoplasma gondii exonuclease III APE 0.0022 0.0019 0.0019
Leishmania major trypanothione reductase 0.0111 0.0345 0.1396
Mycobacterium tuberculosis Probable aminopeptidase PepC 0.0074 0.0209 0.0696
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0038 0.008 0.0259
Brugia malayi Matrixin family protein 0.0021 0.0014 0.002
Echinococcus multilocularis bloom syndrome protein 0.0025 0.003 0.003
Trichomonas vaginalis glutathione reductase, putative 0.0038 0.008 0.0259
Brugia malayi Matrixin family protein 0.0021 0.0014 0.002
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0042 0.0094 0.0095
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0038 0.008 0.0061
Echinococcus multilocularis flap endonuclease 1 0.0031 0.0052 0.0051
Loa Loa (eye worm) hypothetical protein 0.0035 0.0066 0.0067
Trypanosoma cruzi trypanothione reductase, putative 0.0038 0.008 0.0259
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0128 0.0408 0.1392
Trypanosoma cruzi hypothetical protein, conserved 0.006 0.0161 0.0608
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0038 0.008 0.0222
Toxoplasma gondii aminopeptidase n, putative 0.2745 1 1
Leishmania major hypothetical protein, conserved 0.006 0.0161 0.0608
Toxoplasma gondii PAN domain-containing protein 0.0017 0.0001 0.0001
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0033 0.0062 0.0062
Trypanosoma cruzi trypanothione reductase, putative 0.0111 0.0345 0.1396
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0066 0.02
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17, putative 0.0554 0.1971 0.8373
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0031 0.0052 0.0138
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0017 0.0001 0.0001
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0035 0.0066 0.0066
Trypanosoma brucei Aminopeptidase M1, putative 0.0658 0.235 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0038 0.008 0.0061
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0038 0.008 0.0259
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0048 0.0123
Toxoplasma gondii kringle domain-containing protein 0.006 0.0161 0.0161
Trypanosoma cruzi aspartyl aminopeptidase, putative 0.0074 0.0209 0.0813
Schistosoma mansoni PwLAP aminopeptidase (M17 family) 0.011 0.0344 0.0351
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0431 0.1519 0.6436
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0074 0.0209 0.0813
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0128 0.0408 0.1668
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0066 0.0067
Loa Loa (eye worm) hypothetical protein 0.0074 0.0209 0.0213
Brugia malayi Thioredoxin reductase 0.0111 0.0345 0.0505
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0038 0.008 0.0259
Onchocerca volvulus Matrilysin homolog 0.0046 0.0106 0.0208
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0066 0.0198
Toxoplasma gondii 1,3(4)-beta-glucanase 0.0017 0.0001 0.0001
Echinococcus granulosus leucine aminopeptidase protein 0.0764 0.274 0.2802
Loa Loa (eye worm) hypothetical protein 0.0017 0.0002 0.0001
Echinococcus multilocularis musashi 0.0031 0.0054 0.0054
Schistosoma mansoni hypothetical protein 0.006 0.016 0.0162
Echinococcus granulosus intermediate filament protein 0.0031 0.0054 0.0054
Loa Loa (eye worm) hypothetical protein 0.0066 0.0181 0.0185
Brugia malayi cytosol aminopeptidase 0.011 0.0344 0.0504
Plasmodium falciparum M17 leucyl aminopeptidase 0.0554 0.1971 0.1955
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0017 0.0001 0.0000000091267
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0035 0.0066 0.02
Loa Loa (eye worm) aminopeptidase in chromosome V 0.011 0.0344 0.0351
Brugia malayi Peptidase family M1 containing protein 0.0658 0.235 0.345
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0075 0.0213 0.0216
Brugia malayi Aspartyl aminopeptidase 0.0074 0.0209 0.0306
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0035 0.0066 0.0067
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0227 0.077 0.0786
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.0054 0.0079
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0658 0.235 1
Schistosoma mansoni ap endonuclease 0.0022 0.0019 0.0019
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0038 0.008 0.0259
Loa Loa (eye worm) hypothetical protein 0.0017 0.0001 0.0001
Trypanosoma cruzi pyroglutamyl-peptidase I, putative 0.0506 0.1793 0.761
Schistosoma mansoni blooms syndrome DNA helicase 0.002 0.0011 0.001
Echinococcus granulosus aspartyl aminopeptidase 0.0074 0.0209 0.0212
Entamoeba histolytica hypothetical protein 0.0042 0.0094 0.0322
Toxoplasma gondii PAN domain-containing protein 0.0017 0.0001 0.0001
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0431 0.1519 0.1553
Echinococcus granulosus thioredoxin glutathione reductase 0.0111 0.0345 0.0351
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0038 0.008 0.0222
Chlamydia trachomatis cytosol aminopeptidase 0.0764 0.274 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0035 0.0066 0.0067
Toxoplasma gondii microneme protein MIC17C 0.0017 0.0001 0.0001
Schistosoma mansoni family M1 non-peptidase homologue (M01 family) 0.0227 0.077 0.0786
Schistosoma mansoni inhibitor of apoptosis protein 0.0087 0.0257 0.0262
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17 0.011 0.0344 0.1393
Brugia malayi Matrixin family protein 0.005 0.0121 0.0177
Trichomonas vaginalis DNA helicase recq1, putative 0.0025 0.003 0.0046
Brugia malayi intermediate filament protein 0.0031 0.0054 0.0079
Plasmodium vivax glutathione reductase, putative 0.0111 0.0345 0.0344
Loa Loa (eye worm) TATA binding protein associated factor 0.0431 0.1519 0.1553
Onchocerca volvulus Deterin homolog 0.0087 0.0257 0.0507
Echinococcus multilocularis leucine aminopeptidase protein 0.0764 0.274 0.2802
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0074 0.0209 0.0813
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0038 0.008 0.0259
Schistosoma mansoni intermediate filament proteins 0.0031 0.0054 0.0054
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0038 0.008 0.008
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0431 0.1519 0.1503
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0431 0.1519 0.6436
Brugia malayi Death domain containing protein 0.0017 0.0001 0.0001
Mycobacterium tuberculosis Probable reductase 0.0252 0.0864 0.3104
Giardia lamblia Flap structure-specific endonuclease 0.0031 0.0052 0.5338
Onchocerca volvulus 0.0431 0.1519 0.3001
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0658 0.235 1
Echinococcus granulosus lamin dm0 0.0031 0.0054 0.0054
Trypanosoma brucei aminopeptidase, putative 0.0431 0.1519 0.6436
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0658 0.235 0.2402
Toxoplasma gondii microneme protein MIC4 0.0017 0.0001 0.0001
Schistosoma mansoni hypothetical protein 0.0042 0.0094 0.0095
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0035 0.0066 0.7713
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0038 0.008 0.0222
Plasmodium vivax 6-phosphofructokinase, putative 0.0035 0.0066 0.0065
Plasmodium vivax SET domain protein, putative 0.0035 0.0066 0.0066
Echinococcus multilocularis expressed conserved protein 0.0049 0.012 0.0122
Onchocerca volvulus 0.0031 0.0054 0.0106
Schistosoma mansoni hypothetical protein 0.0029 0.0046 0.0046
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0038 0.008 0.0259
Schistosoma mansoni hypothetical protein 0.006 0.0161 0.0163
Brugia malayi Peptidase family M1 containing protein 0.1397 0.506 0.7431
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0658 0.235 1
Onchocerca volvulus 0.0031 0.0054 0.0106
Echinococcus granulosus lamin 0.0031 0.0054 0.0054
Plasmodium vivax cysteine repeat modular protein 1, putative 0.006 0.0161 0.016
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0128 0.0408 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0048 0.0048
Entamoeba histolytica phosphofructokinase, putative 0.0128 0.0408 0.1668
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0066 0.02
Loa Loa (eye worm) thioredoxin reductase 0.0111 0.0345 0.0352
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0048 0.0048
Trypanosoma cruzi aminopeptidase, putative 0.0431 0.1519 0.6436
Echinococcus multilocularis leucyl aminopeptidase 0.011 0.0344 0.0351
Treponema pallidum NADH oxidase 0.0038 0.008 0.1553
Trypanosoma cruzi aminopeptidase, putative 0.0658 0.235 1
Trypanosoma brucei pyroglutamyl-peptidase I, putative 0.0506 0.1793 0.761
Echinococcus granulosus inhibitor of apoptosis protein 0.0087 0.0257 0.0262
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0021 0.0014 0.0013
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0038 0.008 0.0259
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0031 0.0052 0.0052
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0017 0.0001 0.0000000091267
Loa Loa (eye worm) hypothetical protein 0.006 0.0161 0.0164
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0025 0.0031 0.0042
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0066 0.02
Echinococcus multilocularis leukotriene A 4 hydrolase 0.2684 0.9778 1
Plasmodium falciparum glutathione reductase 0.0111 0.0345 0.0326
Brugia malayi hypothetical protein 0.0066 0.0181 0.0265
Echinococcus multilocularis lamin 0.0031 0.0054 0.0054
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0038 0.008 0.0259
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0038 0.008 0.0116
Loa Loa (eye worm) matrixin family protein 0.0046 0.0106 0.0108
Brugia malayi hypothetical protein 0.0042 0.0094 0.0138
Echinococcus granulosus Ankyrin 0.0017 0.0002 0.0001
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0038 0.008 0.0259
Trichomonas vaginalis mercuric reductase, putative 0.0038 0.008 0.0259
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 0.011 0.0344 0.1393
Loa Loa (eye worm) hypothetical protein 0.0031 0.0054 0.0055
Brugia malayi Matrixin family protein 0.0021 0.0014 0.002
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0038 0.008 0.008
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0658 0.235 0.2402
Loa Loa (eye worm) glutathione reductase 0.0111 0.0345 0.0352
Trichomonas vaginalis set domain proteins, putative 0.0275 0.0948 0.3986
Toxoplasma gondii 6-phosphofructokinase 0.0035 0.0066 0.0066
Onchocerca volvulus 0.0658 0.235 0.4643
Loa Loa (eye worm) 6-phosphofructokinase 0.0128 0.0408 0.0417
Loa Loa (eye worm) aspartyl aminopeptidase 0.0074 0.0209 0.0213
Loa Loa (eye worm) matrixin family protein 0.005 0.0121 0.0123
Echinococcus granulosus nuclear factor of activated T cells 5 0.0087 0.0257 0.0262
Toxoplasma gondii NADPH-glutathione reductase 0.0038 0.008 0.008
Trypanosoma cruzi cytosolic leucyl aminopeptidase, putative 0.0554 0.1971 0.8373
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.0054 0.0055
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0035 0.0066 0.0066
Entamoeba histolytica hypothetical protein 0.0042 0.0094 0.0322
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0038 0.008 0.0079
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0087 0.0257 0.0377
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0431 0.1519 0.6436
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0034 0.0066 0.0198
Onchocerca volvulus 0.0029 0.0046 0.0089
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0658 0.235 0.2402
Wolbachia endosymbiont of Brugia malayi leucyl aminopeptidase 0.0764 0.274 1
Onchocerca volvulus Cell death protein 3 homolog 0.0066 0.0181 0.0357
Schistosoma mansoni ap endonuclease 0.0022 0.0019 0.0019
Trypanosoma cruzi Aminopeptidase M1, putative 0.0658 0.235 1
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0035 0.0066 0.1198
Echinococcus granulosus expressed conserved protein 0.0049 0.012 0.0122
Toxoplasma gondii hypothetical protein 0.0017 0.0001 0.0001
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.2684 0.9778 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.028 0.0967 0.3483
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0431 0.1519 0.6436
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0227 0.077 0.3221
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0431 0.1519 0.6436
Echinococcus granulosus ankyrin repeat domain containing protein 17 0.011 0.0344 0.0351
Mycobacterium leprae PROBABLE AMINOPEPTIDASE PEPC 0.0074 0.0209 0.0657
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0066 0.0198
Loa Loa (eye worm) leukotriene A4 hydrolase 0.2684 0.9778 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0048 0.0029
Schistosoma mansoni lamin 0.0031 0.0054 0.0054
Brugia malayi Peptidase family M1 containing protein 0.0431 0.1519 0.223
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0075 0.0213 0.0216
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0066 0.0067
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0031 0.0052 0.0138
Plasmodium vivax M17 leucyl aminopeptidase, putative 0.0764 0.274 0.274
Toxoplasma gondii PAN domain-containing protein 0.0017 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0431 0.1519 0.1553
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0087 0.0257 0.0377
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0658 0.235 1
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0038 0.008 0.0222
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0252 0.0864 0.3104
Loa Loa (eye worm) hypothetical protein 0.0021 0.0014 0.0014
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.011 0.0344 0.0504
Brugia malayi hypothetical protein 0.0019 0.0009 0.0013
Brugia malayi Protein kinase domain containing protein 0.006 0.0161 0.0235
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 0.0554 0.1971 0.8373
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0038 0.008 0.0259
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0658 0.235 0.2402
Onchocerca volvulus 0.0021 0.0014 0.0027
Brugia malayi POT family protein 0.0048 0.0115 0.0168
Toxoplasma gondii phosphofructokinase PFKII 0.0035 0.0066 0.0066
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0048 0.0047
Echinococcus multilocularis thioredoxin glutathione reductase 0.0111 0.0345 0.0351
Onchocerca volvulus 0.006 0.0161 0.0317
Loa Loa (eye worm) hypothetical protein 0.0031 0.0052 0.0053
Leishmania major hypothetical protein, conserved 0.003 0.0048 0.0123
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0658 0.235 0.2402
Mycobacterium ulcerans aminopeptidase N PepN 0.0431 0.1519 0.5511
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17 0.011 0.0344 0.1393
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0431 0.1519 0.1553
Plasmodium falciparum glutathione reductase 0.0038 0.008 0.0061
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.028 0.0967 0.3483
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0038 0.008 0.0259
Loa Loa (eye worm) hypothetical protein 0.0087 0.0257 0.0262
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0038 0.008 0.0052
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0038 0.008 0.0259
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0242 0.0826 0.0844
Loa Loa (eye worm) hypothetical protein 0.002 0.0012 0.0011
Loa Loa (eye worm) hypothetical protein 0.0431 0.1519 0.1553
Loa Loa (eye worm) matrix metalloproteinase 0.0021 0.0014 0.0014
Schistosoma mansoni hypothetical protein 0.0087 0.0257 0.0262
Mycobacterium tuberculosis Probable dehydrogenase 0.0252 0.0864 0.3104
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0111 0.0345 0.1195
Brugia malayi Uncoordinated protein 44 0.0017 0.0001 0.0001
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0038 0.008 0.0259
Schistosoma mansoni 6-phosphofructokinase 0.0128 0.0408 0.0416
Mycobacterium ulcerans hydrolase 0.0025 0.0031 0.0042
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0658 0.235 0.2402
Echinococcus multilocularis caspase 2 0.0066 0.0181 0.0184
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0038 0.008 0.0079
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0035 0.0066 0.0047
Toxoplasma gondii PAN domain-containing protein 0.0017 0.0001 0.0001
Echinococcus granulosus flap endonuclease 1 0.0031 0.0052 0.0051
Loa Loa (eye worm) peptidase family M1 containing protein 0.117 0.4229 0.4325

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 22 mg kg-1 50% inhibition of solid tumour growth (Sarcoma 180 cells) in mice ChEMBL. 7636865
ED50 (functional) = 22 mg kg-1 50% inhibition of solid tumour growth (Sarcoma 180 cells) in mice ChEMBL. 7636865
IC50 ratio (functional) > 3.7 Inhibition of HeLa S3 cell growth relative to mitomycin C action (ratio of IC50 values) ChEMBL. 7636865
OD (functional) = 30 mg kg-1 Optimal dose was measured against sarcoma 180 cell in mice ChEMBL. 7636865
T/C (functional) = 0.44 min T/C value was measured as tumour volume in the treated versus control mice. ChEMBL. 7636865
T/C (functional) = 0.44 min T/C value was measured as tumour volume in the treated versus control mice. ChEMBL. 7636865

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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