Detailed information for compound 1192674

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 574.712 | Formula: C27H34N4O6S2
  • H donors: 6 H acceptors: 6 LogP: -1.19 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 3
  • SMILES: O=C1C[C@H](Cc2ccc(cc2)O)NC(=O)[C@@H](N)CCSSCC[C@@H](N1)C(=O)NCc1ccccc1CC(=O)O
  • InChi: 1S/C27H34N4O6S2/c28-22-9-11-38-39-12-10-23(27(37)29-16-19-4-2-1-3-18(19)14-25(34)35)31-24(33)15-20(30-26(22)36)13-17-5-7-21(32)8-6-17/h1-8,20,22-23,32H,9-16,28H2,(H,29,37)(H,30,36)(H,31,33)(H,34,35)/t20-,22-,23+/m0/s1
  • InChiKey: ANIBETHRRCCYKY-ACIOBRDBSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens alanyl (membrane) aminopeptidase Starlite/ChEMBL References
Homo sapiens leucyl/cystinyl aminopeptidase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis aminopeptidase N Get druggable targets OG5_127217 All targets in OG5_127217
Brugia malayi Peptidase family M1 containing protein Get druggable targets OG5_127217 All targets in OG5_127217
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127217 All targets in OG5_127217
Onchocerca volvulus Get druggable targets OG5_127217 All targets in OG5_127217
Loa Loa (eye worm) peptidase family M1 containing protein Get druggable targets OG5_127217 All targets in OG5_127217
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127217 All targets in OG5_127217
Echinococcus granulosus aminopeptidase N Get druggable targets OG5_127217 All targets in OG5_127217
Schistosoma japonicum ko:K01256 membrane alanyl aminopeptidase [EC3.4.11.2], putative Get druggable targets OG5_127217 All targets in OG5_127217
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus puromycin sensitive aminopeptidase alanyl (membrane) aminopeptidase 967 aa 976 aa 28.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.003 0.0548 0.1804
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.003 0.0548 0.2004
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0084 0.194 0.194
Trypanosoma cruzi trypanothione reductase, putative 0.0029 0.0537 0.1747
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0029 0.0537 0.0537
Echinococcus multilocularis aminopeptidase N 0.0185 0.4512 0.4512
Loa Loa (eye worm) hypothetical protein 0.002 0.0306 0.0369
Loa Loa (eye worm) hypothetical protein 0.003 0.0548 0.0701
Echinococcus multilocularis nuclear receptor nhr 48 0.0009 0.0035 0.0035
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0064 0.004
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.02 0.02
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0572 0.0572
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0021 0.034 0.0416
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.0306 0.0369
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.118 0.5632
Echinococcus multilocularis transcription factor Dp 1 0.0038 0.077 0.077
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.1309 0.1309
Loa Loa (eye worm) hypothetical protein 0.0156 0.3757 0.5082
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0066 0.1479 0.6621
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0935 0.1229
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0669 0.0866
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0528 0.0528
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.003 0.0548 0.2004
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0029 0.0537 0.1502
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0066 0.1479 0.6621
Loa Loa (eye worm) hypothetical protein 0.0019 0.029 0.0347
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0306 0.0306
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.0306 0.0306
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0009 0.0035 0.0035
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0011 0.0064 0.0064
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.003 0.0548 0.0465
Brugia malayi CXXC zinc finger family protein 0.0028 0.0511 0.0649
Loa Loa (eye worm) hypothetical protein 0.002 0.0306 0.0369
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0935 0.1229
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0009 0.0035 0.0035
Brugia malayi Muscleblind-like protein 0.0297 0.7359 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0935 0.0935
Loa Loa (eye worm) hypothetical protein 0.002 0.0306 0.0369
Loa Loa (eye worm) histone methyltransferase 0.001 0.0044 0.0011
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0084 0.194 0.194
Schistosoma mansoni hypothetical protein 0.0401 1 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0011 0.0064 0.0064
Trypanosoma cruzi trypanothione reductase, putative 0.0084 0.194 0.9003
Onchocerca volvulus 0.003 0.0548 0.0881
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0214 0.5235 1
Onchocerca volvulus 0.0238 0.5858 1
Plasmodium falciparum thioredoxin reductase 0.0084 0.194 1
Schistosoma mansoni cpg binding protein 0.003 0.0551 0.0551
Echinococcus granulosus cpg binding protein 0.003 0.0551 0.0551
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0009 0.0035 0.0035
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0084 0.194 0.9004
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.1309 0.1309
Trypanosoma cruzi aminopeptidase, putative 0.003 0.0548 0.1804
Loa Loa (eye worm) hypothetical protein 0.002 0.0306 0.0369
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0084 0.194 0.194
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0306 0.0369
Plasmodium vivax SET domain protein, putative 0.0031 0.0572 0.2138
Echinococcus multilocularis leukotriene A 4 hydrolase 0.003 0.0548 0.0548
Brugia malayi hypothetical protein 0.0123 0.2922 0.3942
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.2132 0.3309
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0084 0.194 0.194
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.003 0.0548 0.1804
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0572 0.0572
Schistosoma mansoni cpg binding protein 0.0028 0.0511 0.0511
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0192 0.4688 0.8915
Echinococcus granulosus puromycin sensitive aminopeptidase 0.003 0.0548 0.0548
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.029 0.0347
Loa Loa (eye worm) hypothetical protein 0.003 0.0548 0.0701
Brugia malayi Pre-SET motif family protein 0.0209 0.5123 0.6948
Schistosoma mansoni DNA polymerase eta 0.0019 0.029 0.029
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.1342 0.1342
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.02 0.02
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.02 0.02
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0044 0.0044
Onchocerca volvulus Serine\/threonine kinase homolog 0.0092 0.2132 0.3602
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.029 0.0771
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.029 0.0771
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0029 0.0537 0.1502
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.0306 0.0306
Trypanosoma brucei Aminopeptidase M1, putative 0.0084 0.194 0.9036
Trichomonas vaginalis set domain proteins, putative 0.0238 0.5858 1
Treponema pallidum NADH oxidase 0.0029 0.0537 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0214 0.5235 1
Loa Loa (eye worm) TATA binding protein associated factor 0.003 0.0548 0.0701
Onchocerca volvulus Bile acid receptor homolog 0.002 0.0306 0.0464
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.0306 0.0369
Echinococcus granulosus dna polymerase kappa 0.0019 0.029 0.029
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.1309 0.1309
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0066 0.1479 0.1479
Plasmodium vivax thioredoxin reductase, putative 0.0084 0.194 1
Loa Loa (eye worm) thioredoxin reductase 0.0084 0.194 0.26
Schistosoma mansoni thyroid hormone receptor 0.002 0.0306 0.0306
Schistosoma mansoni nuclear receptor 0.0009 0.0035 0.0035
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0044 0.0044
Trypanosoma brucei aminopeptidase, putative 0.003 0.0548 0.2066
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.029 0.0771
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0537 0.1747
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0055 0.1185 0.1185
Echinococcus multilocularis muscleblind protein 1 0.0297 0.7359 0.7359
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0084 0.194 0.9036
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.003 0.0548 0.0548
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.003 0.0548 0.1804
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.02 0.0225
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.029 0.0465
Schistosoma mansoni hypothetical protein 0.0016 0.0199 0.0199
Brugia malayi nuclear receptor NHR-88 0.002 0.0306 0.0369
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0935 0.0935
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0029 0.0537 0.0671
Brugia malayi Isocitrate dehydrogenase 0.0016 0.02 0.0225
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0084 0.194 0.194
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.0306 0.0306
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0199 0.0224
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.0306 0.0369
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.003 0.0548 0.0548
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0084 0.194 0.194
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.002 0.0306 0.0464
Leishmania major DNA polymerase eta, putative 0.0019 0.029 0.0465
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0029 0.0537 0.1747
Loa Loa (eye worm) hypothetical protein 0.005 0.1075 0.1419
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.1075 0.1419
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0066 0.1479 0.1479
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.0306 0.0306
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.02 0.032
Trypanosoma cruzi polo-like protein kinase, putative 0.0092 0.2132 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.029 0.0465
Brugia malayi serine/threonine-protein kinase plk-2 0.0092 0.2132 0.2863
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.1309 0.6177
Echinococcus multilocularis dnaJ subfamily B 0.0401 1 1
Brugia malayi hypothetical protein 0.0011 0.0064 0.004
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0066 0.1479 0.1972
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0029 0.0537 0.2012
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0084 0.194 0.2964
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.0306 0.0369
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.029 0.0465
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0029 0.0537 0.0537
Brugia malayi Thioredoxin reductase 0.0084 0.194 0.26
Leishmania major DNA polymerase kappa, putative 0.0019 0.029 0.0465
Schistosoma mansoni thyroid hormone receptor 0.002 0.0306 0.0306
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.003 0.0548 0.1804
Loa Loa (eye worm) hypothetical protein 0.0101 0.2366 0.3182
Loa Loa (eye worm) hypothetical protein 0.0297 0.7359 1
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.2132 0.3309
Onchocerca volvulus Huntingtin homolog 0.0123 0.2922 0.4958
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.0306 0.0306
Echinococcus granulosus Nuclear hormone receptor HR96 0.0009 0.0035 0.0035
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0572 0.0572
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.003 0.0548 0.2004
Loa Loa (eye worm) hypothetical protein 0.002 0.0306 0.0369
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0092 0.2132 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0214 0.5235 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0084 0.194 0.3456
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.0306 0.0306
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.0306 0.0306
Loa Loa (eye worm) steroid hormone receptor 0.002 0.0306 0.0369
Schistosoma mansoni cpg binding protein 0.003 0.0551 0.0551
Loa Loa (eye worm) hypothetical protein 0.0011 0.0064 0.004
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.029 0.0347
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0306 0.0306
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0011 0.0064 0.0064
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0306 0.0369
Trypanosoma brucei Aminopeptidase M1, putative 0.0084 0.194 0.9036
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0092 0.2132 0.2132
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.0306 0.0369
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0199 0.0199
Echinococcus granulosus dna polymerase eta 0.0019 0.029 0.029
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0066 0.1479 0.6457
Mycobacterium ulcerans aminopeptidase N PepN 0.003 0.0548 0.1568
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0192 0.4688 0.8915
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.0306 0.0369
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.029 0.0347
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.029 0.0771
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.0306 0.0306
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0021 0.034 0.0416
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0306 0.0369
Giardia lamblia Kinase, PLK 0.0092 0.2132 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.0306 0.0306
Loa Loa (eye worm) leukotriene A4 hydrolase 0.003 0.0548 0.0701
Echinococcus multilocularis dna polymerase kappa 0.0019 0.029 0.029
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0306 0.0306
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.029 0.0771
Trypanosoma brucei trypanothione reductase 0.0084 0.194 0.9035
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0029 0.0537 0.2012
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0029 0.0537 0.1747
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.003 0.0548 0.1804
Echinococcus multilocularis thioredoxin glutathione reductase 0.0085 0.1953 0.1953
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.02 0.02
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.0306 0.0306
Schistosoma mansoni kinase 0.0047 0.0982 0.0982
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.02 0.02
Echinococcus multilocularis dna polymerase eta 0.0019 0.029 0.029
Schistosoma mansoni nuclear receptor 0.0009 0.0035 0.0035
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.029 0.029
Trypanosoma brucei polo-like protein kinase 0.0092 0.2132 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0199 0.0199
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0572 0.2138
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0066 0.1479 0.6621
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.0306 0.0306
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0084 0.194 0.194
Schistosoma mansoni nuclear hormone receptor 0.0009 0.0035 0.0035
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0066 0.1479 0.1479
Schistosoma mansoni coup transcription factor 0.002 0.0306 0.0306
Toxoplasma gondii NADPH-glutathione reductase 0.0029 0.0537 0.1941
Toxoplasma gondii aminopeptidase N, putative 0.003 0.0548 0.2004
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0029 0.0537 0.1941
Entamoeba histolytica serine/threonine protein kinase, putative 0.0092 0.2132 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.0306 0.0306
Echinococcus multilocularis FTZ F1 alpha 0.002 0.0306 0.0306
Echinococcus multilocularis cpg binding protein 0.003 0.0551 0.0551
Loa Loa (eye worm) peptidase family M1 containing protein 0.0131 0.312 0.4213
Loa Loa (eye worm) hypothetical protein 0.003 0.0548 0.0701
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0572 0.0572
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.029 0.0771
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.029 0.029
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.0306 0.0369
Onchocerca volvulus 0.002 0.0306 0.0464
Brugia malayi hypothetical protein 0.003 0.0548 0.0701
Brugia malayi Steroid receptor seven-up type 2 0.002 0.0306 0.0369
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.0306 0.0369
Loa Loa (eye worm) hypothetical protein 0.0031 0.0572 0.0732
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0214 0.5235 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0064 0.0064
Toxoplasma gondii thioredoxin reductase 0.0084 0.194 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0029 0.0537 0.1502
Plasmodium falciparum thioredoxin reductase 0.0029 0.0537 0.1941
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0064 0.004
Trichomonas vaginalis mercuric reductase, putative 0.0029 0.0537 0.0445
Loa Loa (eye worm) aminopeptidase N 0.0084 0.194 0.2601
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0029 0.0537 0.1747
Schistosoma mansoni aminopeptidase A (M01 family) 0.003 0.0548 0.0548
Onchocerca volvulus 0.0185 0.4512 0.7689
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.003 0.0548 0.1804
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0192 0.4688 0.8915
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0029 0.0537 0.1941
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0066 0.1479 0.673
Loa Loa (eye worm) hypothetical protein 0.0011 0.0064 0.004
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.1309 0.574
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0084 0.194 0.9004
Schistosoma mansoni nuclear receptor nhr-48 0.0009 0.0035 0.0035
Brugia malayi nuclear receptor RXR 0.0011 0.0064 0.004
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.0306 0.0306
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0199 0.0199
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0306 0.0369
Schistosoma mansoni serine/threonine protein kinase 0.0092 0.2132 0.2132
Schistosoma mansoni zinc finger protein 0.0009 0.0035 0.0035
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.029 0.0771
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0041 0.0007
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0009 0.0035 0.0035
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.0306 0.0369
Brugia malayi TATA binding protein associated factor 0.003 0.0548 0.0701
Echinococcus granulosus leukotriene A 4 hydrolase 0.003 0.0548 0.0548
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.0306 0.0369
Brugia malayi ecdysteroid receptor 0.002 0.0306 0.0369
Trichomonas vaginalis CAMK family protein kinase 0.0045 0.0952 0.1189
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0029 0.0537 0.1941
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.029 0.0771
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0029 0.0537 0.2012
Echinococcus multilocularis GPCR, family 2 0.0016 0.0199 0.0199
Echinococcus granulosus transcription factor Dp 1 0.0038 0.077 0.077
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.029 0.0771
Echinococcus granulosus Nuclear hormone receptor HR96 0.0009 0.0035 0.0035
Brugia malayi steroid hormone receptor 0.002 0.0306 0.0369
Trichomonas vaginalis CAMK family protein kinase 0.0045 0.0952 0.1189
Brugia malayi Peptidase family M1 containing protein 0.003 0.0548 0.0701
Loa Loa (eye worm) hypothetical protein 0.0016 0.0199 0.0224
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.029 0.0465
Trypanosoma brucei unspecified product 0.0019 0.029 0.0771
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.0306 0.0369
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.0306 0.0306
Plasmodium falciparum glutathione reductase 0.0029 0.0537 0.1941
Echinococcus multilocularis thyroid hormone receptor alpha 0.002 0.0306 0.0306
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.2132 0.3309
Schistosoma mansoni hypothetical protein 0.0016 0.0199 0.0199
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0306 0.0369
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.029 0.0771
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.0306 0.0306
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0009 0.0035 0.0035
Schistosoma mansoni hypothetical protein 0.0016 0.0199 0.0199
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0199 0.0224
Echinococcus granulosus aminopeptidase N 0.0185 0.4512 0.4512
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.1309 0.6177
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0572 0.0572
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.2132 0.3309
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0199 0.0224
Toxoplasma gondii aminopeptidase n, putative 0.003 0.0548 0.2004
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0537 0.1747
Toxoplasma gondii aminopeptidase N protein 0.003 0.0548 0.2004
Loa Loa (eye worm) hypothetical protein 0.0034 0.0669 0.0866
Echinococcus multilocularis muscleblind protein 0.0297 0.7359 0.7359
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.0306 0.0369
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0029 0.0537 0.1941
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.029 0.0771
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0199 0.0199
Onchocerca volvulus 0.0031 0.0572 0.0921
Trypanosoma cruzi polo-like protein kinase, putative 0.0092 0.2132 1
Onchocerca volvulus Huntingtin homolog 0.0123 0.2922 0.4958
Mycobacterium tuberculosis Probable reductase 0.0192 0.4688 0.8915
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.1309 0.6177
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0009 0.0035 0.0035
Entamoeba histolytica aminopeptidase, putative 0.0084 0.194 0.8955
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.0306 0.0369
Loa Loa (eye worm) hypothetical protein 0.002 0.0306 0.0369
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0306 0.0306
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0084 0.194 0.194
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0511 0.0649
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.2132 0.3309
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0029 0.0537 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.2132 0.3309
Echinococcus granulosus thyroid hormone receptor alpha 0.0009 0.0035 0.0035
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.1075 0.1419
Plasmodium falciparum glutathione reductase 0.0084 0.194 1
Onchocerca volvulus 0.0084 0.194 0.3271
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0055 0.1185 0.51
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.029 0.0465
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.1309 0.6376
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.0306 0.0306
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0029 0.0537 0.5
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.0306 0.0306
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0537 0.1747
Brugia malayi nuclear hormone receptor 0.002 0.0306 0.0369
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0572 0.0572
Mycobacterium ulcerans aminopeptidase N PepN 0.0084 0.194 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.02 0.02
Schistosoma mansoni hypothetical protein 0.0016 0.0199 0.0199
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0192 0.4688 0.8915
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0029 0.0537 0.1747
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0.02 0.032
Loa Loa (eye worm) hypothetical protein 0.0297 0.7359 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0935 0.0935
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.029 0.0771
Echinococcus granulosus muscleblind protein 0.0297 0.7359 0.7359
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0084 0.194 0.2964
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0009 0.0035 0.0035
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0084 0.194 0.194
Trichomonas vaginalis glutathione reductase, putative 0.0029 0.0537 0.0445
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0084 0.194 0.194
Loa Loa (eye worm) hypothetical protein 0.0011 0.0064 0.004
Brugia malayi Peptidase family M1 containing protein 0.0185 0.4512 0.6113
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0935 0.0935
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0009 0.0035 0.0035
Brugia malayi Peptidase family M1 containing protein 0.0084 0.194 0.2601
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0029 0.0537 0.1941
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0011 0.0064 0.004
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0029 0.0537 0.0537
Giardia lamblia NADH oxidase lateral transfer candidate 0.0029 0.0537 0.1345
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.0306 0.0369
Loa Loa (eye worm) hypothetical protein 0.0123 0.2922 0.3942
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0084 0.194 0.194
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.02 0.02
Schistosoma mansoni hypothetical protein 0.0034 0.0669 0.0669
Echinococcus granulosus thioredoxin glutathione reductase 0.0085 0.1953 0.1953
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0084 0.194 0.9004
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0009 0.0035 0.0035
Loa Loa (eye worm) hypothetical protein 0.002 0.0306 0.0369
Leishmania major trypanothione reductase 0.0084 0.194 0.9003
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.029 0.0179
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.029 0.029
Loa Loa (eye worm) hypothetical protein 0.0011 0.0064 0.004
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0092 0.2132 0.2863
Loa Loa (eye worm) glutathione reductase 0.0084 0.194 0.26
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0537 0.1747
Brugia malayi glutathione reductase 0.0084 0.194 0.26
Echinococcus granulosus puromycin sensitive aminopeptidase 0.003 0.0548 0.0548
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.0306 0.0306
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.029 0.0771
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0537 0.1747
Brugia malayi isocitrate dehydrogenase 0.0016 0.02 0.0225
Brugia malayi Pre-SET motif family protein 0.0031 0.0572 0.0732
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0572 0.0572
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.1309 0.1309
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0029 0.0537 0.1747
Mycobacterium tuberculosis Probable dehydrogenase 0.0192 0.4688 0.8915
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0209 0.5123 0.6948
Trypanosoma cruzi Aminopeptidase M1, putative 0.0084 0.194 0.9004
Brugia malayi hypothetical protein 0.0011 0.0064 0.004
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0029 0.0537 0.5
Plasmodium falciparum M1-family alanyl aminopeptidase 0.003 0.0548 0.2004
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.0306 0.0369
Echinococcus granulosus FTZ F1 alpha 0.002 0.0306 0.0306
Onchocerca volvulus 0.0028 0.0511 0.0816
Trypanosoma cruzi aminopeptidase, putative 0.0084 0.194 0.9004
Plasmodium vivax glutathione reductase, putative 0.0084 0.194 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0537 0.1747
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.0306 0.0369
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.0306 0.0306
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0066 0.1479 0.1972
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0029 0.0537 0.2012
Loa Loa (eye worm) hypothetical protein 0.0011 0.0064 0.004
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.029 0.0771
Loa Loa (eye worm) hypothetical protein 0.002 0.0306 0.0369
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0029 0.0537 0.1747
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.1075 0.1419
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.0306 0.0306
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0935 0.0935
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0084 0.194 0.194
Loa Loa (eye worm) hypothetical protein 0.0123 0.2922 0.3942
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.029 0.0179
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.029 0.0465
Schistosoma mansoni nuclear hormone receptor 0.002 0.0306 0.0306
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0935 0.0935
Echinococcus granulosus nuclear receptor nhr 48 0.0009 0.0035 0.0035
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0306 0.0369
Brugia malayi hypothetical protein 0.0084 0.194 0.2601
Loa Loa (eye worm) hypothetical protein 0.0055 0.1185 0.157
Schistosoma mansoni family M1 non-peptidase homologue (M01 family) 0.0055 0.1185 0.1185
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0092 0.2132 0.2132
Schistosoma mansoni nuclear hormone receptor 0.0009 0.0035 0.0035
Onchocerca volvulus Protein ultraspiracle homolog 0.002 0.0306 0.0464
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.2132 0.3309
Echinococcus granulosus GPCR family 2 0.0016 0.0199 0.0199
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0029 0.0537 0.0686
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.1309 0.2203
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0935 0.0935
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.029 0.029
Loa Loa (eye worm) hypothetical protein 0.0055 0.1185 0.157

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 34.9 nM Displacement of [3H]AL-11 from human IRAP expressed in CHO-K1 cells after 30 mins by liquid scintillation counting in presence of 30 mM EDTA/600 uM 1,10-Phe ChEMBL. 21047126
Ki (binding) = 230 nM Inhibition of catalytic activity of human recombinant IRAP expressed in HEK293 cells ChEMBL. 21047126
Ki (binding) = 11900 nM Inhibition of catalytic activity of human recombinant aminopeptidase N expressed in HEK293 cells ChEMBL. 21047126
Ki (binding) = 13879 nM Displacement of [3H]AL-11 from human IRAP expressed in CHO-K1 cells after 30 mins by liquid scintillation counting in absence of 30 mM EDTA/600 uM 1,10-Phe ChEMBL. 21047126

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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