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

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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