Detailed information for compound 405386

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1724.96 | Formula: C73H113N25O20S2
  • H donors: 26 H acceptors: 20 LogP: -7.65 Rotable bonds: 37
    Rule of 5 violations (Lipinski): 4
  • SMILES: CC[C@@H]([C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](CCCN=C(N)N)NC(=O)CNC(=O)CNC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](CSSC[C@@H](NC1=O)C(=O)N[C@@H](C(=O)N[C@@H](C(=O)O)CCCN=C(N)N)Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CO)N)CO)C)Cc1[nH]c2c(c1)cccc2)[C@H](CC)C)C
  • InChi: 1S/C73H113N25O20S2/c1-6-36(3)56-68(115)93-49(29-55(103)104)64(111)89-45(21-14-24-82-72(77)78)62(109)98-57(37(4)7-2)69(116)96-52(67(114)92-47(26-39-16-9-8-10-17-39)63(110)90-46(70(117)118)22-15-25-83-73(79)80)35-120-119-34-51(95-65(112)50(33-100)94-59(106)42(74)32-99)66(113)86-38(5)58(105)91-48(28-41-27-40-18-11-12-19-43(40)87-41)60(107)85-30-53(101)84-31-54(102)88-44(61(108)97-56)20-13-23-81-71(75)76/h8-12,16-19,27,36-38,42,44-52,56-57,87,99-100H,6-7,13-15,20-26,28-35,74H2,1-5H3,(H,84,101)(H,85,107)(H,86,113)(H,88,102)(H,89,111)(H,90,110)(H,91,105)(H,92,114)(H,93,115)(H,94,106)(H,95,112)(H,96,116)(H,97,108)(H,98,109)(H,103,104)(H,117,118)(H4,75,76,81)(H4,77,78,82)(H4,79,80,83)/t36-,37-,38-,42-,44+,45-,46+,47+,48+,49+,50-,51+,52+,56-,57+/m0/s1
  • InChiKey: QADAQQCNRLFDTA-BCBMULNESA-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 granulosus nuclear receptor 2DBD gamma 0.0018 0.0136 0.0229
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0018 0.0136 0.0229
Loa Loa (eye worm) hypothetical protein 0.0027 0.0257 0.1655
Toxoplasma gondii thioredoxin reductase 0.0049 0.0577 0.7219
Mycobacterium tuberculosis Probable reductase 0.0113 0.1471 0.1374
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0716 1 1
Mycobacterium leprae Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM 0.0064 0.0781 0.3679
Echinococcus multilocularis succinate semialdehyde dehydrogenase 0.0028 0.0276 0.0467
Brugia malayi isocitrate dehydrogenase 0.0017 0.0112 0.0112
Echinococcus multilocularis chromobox protein 2 0.0012 0.0047 0.008
Trypanosoma cruzi trypanothione reductase, putative 0.0017 0.0121 0.0041
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0157 0.0043
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.007 0.0874 0.1477
Echinococcus granulosus dnaJ subfamily B 0.0427 0.5916 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.052 0.052
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0019 0.0143 0.1117
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0064 0.0778 0.1315
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0121 0.0041
Echinococcus multilocularis thyroid hormone receptor alpha 0.0018 0.0136 0.0229
Toxoplasma gondii isocitrate dehydrogenase 0.0017 0.0112 0.0884
Trypanosoma brucei transcription factor BTF3, putative 0.0035 0.0369 0.1212
Echinococcus granulosus succinate semialdehyde dehydrogenase 0.0028 0.0276 0.0467
Mycobacterium ulcerans acetylornithine aminotransferase 0.0064 0.0781 0.0674
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0018 0.0136 0.0136
Onchocerca volvulus 0.003 0.0303 0.6067
Onchocerca volvulus 0.0027 0.0257 0.5141
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0287 0.2789
Echinococcus multilocularis isocitrate dehydrogenase 0.0017 0.0112 0.019
Toxoplasma gondii NAC domain-containing protein 0.0035 0.0369 0.4379
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0018 0.0136 0.0229
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0064 0.0781 0.132
Loa Loa (eye worm) hypothetical protein 0.0012 0.0054 0.035
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0157 0.101
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0018 0.0136 0.0229
Loa Loa (eye worm) hypothetical protein 0.0032 0.0331 0.2134
Trypanosoma cruzi transcription factor btf3, putative 0.0035 0.0369 0.1212
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0455 0.9123
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0064 0.0781 0.3679
Brugia malayi steroid hormone receptor 0.0018 0.0136 0.0136
Brugia malayi hypothetical protein 0.001 0.0015 0.0015
Loa Loa (eye worm) hypothetical protein 0.0018 0.0136 0.0874
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0012 0.0047 0.008
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0018 0.0136 0.0874
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0064 0.0781 0.0674
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0157 0.1271
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0018 0.0136 0.0136
Onchocerca volvulus 0.0012 0.0047 0.0948
Echinococcus multilocularis chromobox protein 1 0.0073 0.0907 0.1534
Loa Loa (eye worm) CYP4Cod1 0.0017 0.0114 0.0737
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0019 0.0143 0.1117
Trypanosoma cruzi cytochrome P450, putative 0.0017 0.0114 0.001
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.007 0.0874 0.1477
Entamoeba histolytica transcription factor BTF3, putative 0.0035 0.0369 0.3886
Plasmodium falciparum glutathione reductase 0.0017 0.0121 0.1002
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0018 0.0136 0.0229
Leishmania major trypanothione reductase 0.0049 0.0577 0.2196
Brugia malayi nuclear receptor NHR-88 0.0018 0.0136 0.0136
Schistosoma mansoni hypothetical protein 0.0012 0.0047 0.008
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0121 0.0041
Entamoeba histolytica hypothetical protein 0.007 0.0874 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.0008 0.0054
Brugia malayi Succinate semialdehyde dehydrogenase, mitochondrial precursor 0.0028 0.0276 0.0276
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0157 0.1322
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0121 0.0041
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0157 0.0265
Loa Loa (eye worm) steroid hormone receptor 0.0018 0.0136 0.0874
Brugia malayi SET domain containing protein 0.0013 0.0057 0.0057
Brugia malayi M-phase phosphoprotein, mpp8 0.0012 0.0047 0.0047
Echinococcus granulosus FTZ F1 alpha 0.0018 0.0136 0.0229
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.1551 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0018 0.0136 0.2714
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.052 0.335
Loa Loa (eye worm) isocitrate dehydrogenase 0.0017 0.0112 0.0723
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0112 0.019
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0166 0.2228 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0018 0.0136 0.0874
Schistosoma mansoni chromobox protein 0.0073 0.0907 0.1534
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0018 0.0136 0.0136
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0112 0.019
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0157 0.1489
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0125 0.1649 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0019 0.0143 0.1117
Onchocerca volvulus 0.0013 0.0057 0.1133
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0017 0.0112 0.0884
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0018 0.0136 0.0229
Loa Loa (eye worm) hypothetical protein 0.0013 0.0061 0.0395
Brugia malayi ecdysteroid receptor 0.0018 0.0136 0.0136
Loa Loa (eye worm) hypothetical protein 0.0026 0.025 0.161
Echinococcus multilocularis lamin dm0 0.0027 0.0257 0.0434
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0018 0.0136 0.0229
Brugia malayi Cytochrome P450 family protein 0.0017 0.0114 0.0114
Schistosoma mansoni cpg binding protein 0.0032 0.0327 0.0553
Loa Loa (eye worm) hypothetical protein 0.0012 0.0047 0.0305
Schistosoma mansoni lamin 0.0027 0.0257 0.0434
Plasmodium falciparum glutathione reductase 0.0049 0.0577 0.7219
Toxoplasma gondii isocitrate dehydrogenase 0.0017 0.0112 0.0884
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0044 0.0499 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0047 0.0305
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0018 0.0136 0.0136
Echinococcus multilocularis transcription factor btf3 0.0035 0.0369 0.0623
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0017 0.0121 0.1002
Schistosoma mansoni retinoic acid receptor RXR 0.0018 0.0136 0.0229
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0017 0.0121 0.0041
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0016 0.0099 0.0599
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.001 0.0015 0.0094
Brugia malayi Steroid receptor seven-up type 2 0.0018 0.0136 0.0136
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0157 0.1271
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0257 0.1655
Loa Loa (eye worm) cytochrome P450 family protein 0.0017 0.0114 0.0737
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0017 0.0121 0.1002
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0064 0.0781 0.0676
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0455 0.4746
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0157 0.021
Schistosoma mansoni chromobox protein 0.0073 0.0907 0.1534
Plasmodium vivax ornithine aminotransferase, putative 0.0064 0.0781 1
Echinococcus multilocularis musashi 0.0027 0.0257 0.0434
Loa Loa (eye worm) hypothetical protein 0.0018 0.0136 0.0874
Brugia malayi Valyl-tRNA synthetase 0.0012 0.0047 0.0047
Echinococcus granulosus transcription factor btf3 0.0035 0.0369 0.0623
Echinococcus multilocularis cpg binding protein 0.0032 0.0327 0.0553
Echinococcus granulosus lamin 0.0027 0.0257 0.0434
Toxoplasma gondii histone lysine methyltransferase SET1 0.0057 0.0682 0.8652
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0018 0.0136 0.0229
Schistosoma mansoni succinate semialdehyde dehydrogenase 0.0028 0.0276 0.0467
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.052 0.0878
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0257 0.0257
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0012 0.0047 0.008
Brugia malayi Nuclear hormone receptor-like 1 0.0018 0.0136 0.0136
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0013 0.0057 0.0057
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0018 0.0136 0.0229
Echinococcus multilocularis ornithine aminotransferase 0.0064 0.0781 0.132
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0018 0.0136 0.0136
Schistosoma mansoni nuclear hormone receptor 0.0018 0.0136 0.0229
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0017 0.0121 0.0204
Schistosoma mansoni hypothetical protein 0.007 0.0874 0.1477
Echinococcus granulosus cpg binding protein 0.0032 0.0327 0.0553
Loa Loa (eye worm) hypothetical protein 0.001 0.0015 0.0094
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0012 0.0047 0.008
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0019 0.0143 0.1117
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0166 0.2228 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0047 0.0305
Loa Loa (eye worm) hypothetical protein 0.0018 0.0136 0.0874
Brugia malayi photoreceptor-specific nuclear receptor 0.0018 0.0136 0.0136
Loa Loa (eye worm) hypothetical protein 0.0018 0.0136 0.0874
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0018 0.0136 0.0229
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0018 0.0136 0.0229
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.052 0.0878
Plasmodium falciparum ornithine aminotransferase 0.0064 0.0781 1
Plasmodium falciparum thioredoxin reductase 0.0017 0.0121 0.1002
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0166 0.2228 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0047 0.0305
Toxoplasma gondii exonuclease III APE 0.002 0.0157 0.1489
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.001 0.0015 0.0025
Mycobacterium tuberculosis Probable aminotransferase 0.0064 0.0781 0.0676
Brugia malayi nuclear receptor RXR 0.001 0.0015 0.0015
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0064 0.0781 0.0674
Loa Loa (eye worm) heterochromatin protein 1 0.0073 0.0907 0.5851
Echinococcus multilocularis ornithine aminotransferase 0.0064 0.0781 0.132
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0113 0.1471 0.1374
Brugia malayi nuclear hormone receptor 0.0018 0.0136 0.0136
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.052 0.0878
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0018 0.0136 0.0229
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0017 0.0121 0.1002
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0081 0.0524
Schistosoma mansoni lamin 0.0027 0.0257 0.0434
Mycobacterium ulcerans succinate-semialdehyde dehydrogenase 0.0028 0.0276 0.0164
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0017 0.0121 0.1002
Loa Loa (eye worm) hypothetical protein 0.001 0.0015 0.0094
Entamoeba histolytica hypothetical protein 0.007 0.0874 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0157 0.1489
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0019 0.0143 0.1117
Toxoplasma gondii NADP-dependent succinate-semialdehyde dehydrogenase 0.0028 0.0276 0.3118
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0018 0.0136 0.0136
Echinococcus multilocularis Chromo domain 0.0012 0.0047 0.008
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0018 0.0136 0.0874
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0064 0.0781 0.0676
Brugia malayi Protein cec-1. 0.0012 0.0047 0.0047
Echinococcus granulosus Aminotransferase class III 0.0064 0.0781 0.132
Echinococcus multilocularis dnaJ subfamily B 0.0427 0.5916 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0017 0.0121 0.0204
Loa Loa (eye worm) hypothetical protein 0.0028 0.0276 0.178
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0018 0.0136 0.0229
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.0121 0.0121
Loa Loa (eye worm) hypothetical protein 0.0018 0.0136 0.0874
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0121 0.0041
Loa Loa (eye worm) hypothetical protein 0.0028 0.0276 0.178
Mycobacterium ulcerans L-lysine aminotransferase 0.0716 1 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0157 0.0541
Brugia malayi Heterochromatin protein 1 0.0073 0.0907 0.0907
Echinococcus multilocularis Chromobox protein 3 0.0012 0.0047 0.008
Brugia malayi CXXC zinc finger family protein 0.003 0.0303 0.0303
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.0121 0.0041
Schistosoma mansoni chromobox protein 0.0012 0.0047 0.008
Toxoplasma gondii NADPH-glutathione reductase 0.0017 0.0121 0.1002
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0018 0.0136 0.0229
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0018 0.0136 0.0229
Echinococcus granulosus Chromo domain 0.0012 0.0047 0.008
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.001 0.0017
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0061 0.0104
Mycobacterium tuberculosis Probable aldehyde dehydrogenase NAD dependent AldA (aldehyde dehydrogenase [NAD+]) 0.0028 0.0276 0.0166
Loa Loa (eye worm) hypothetical protein 0.001 0.0015 0.0094
Onchocerca volvulus Protein ultraspiracle homolog 0.0018 0.0136 0.2714
Echinococcus granulosus chromobox protein 1 0.0073 0.0907 0.1534
Plasmodium vivax basic transcription factor 3b, putative 0.0035 0.0369 0.4379
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0049 0.0577 0.047
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 0.0028 0.0276 0.0166
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0157 0.0157
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0113 0.1471 0.8706
Mycobacterium tuberculosis Probable oxidoreductase 0.0125 0.1649 0.1554
Onchocerca volvulus 0.0012 0.0047 0.0948
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0064 0.0781 0.0674
Brugia malayi Thioredoxin reductase 0.0049 0.0577 0.0577
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0064 0.0781 1
Loa Loa (eye worm) histone methyltransferase 0.0009 0.001 0.0065
Echinococcus granulosus thioredoxin glutathione reductase 0.0049 0.0577 0.0975
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0013 0.0057 0.0057
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0018 0.0136 0.0136
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0018 0.0136 0.0874
Echinococcus granulosus chromobox protein 2 0.0012 0.0047 0.008
Trichomonas vaginalis chromobox protein, putative 0.0073 0.0907 1
Trypanosoma cruzi aldehyde dehydrogenase, putative 0.0028 0.0276 0.0774
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0157 1
Echinococcus granulosus lamin dm0 0.0027 0.0257 0.0434
Schistosoma mansoni hypothetical protein 0.0427 0.5916 1
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0064 0.0781 1
Trypanosoma brucei aldehyde dehydrogenase, putative 0.0028 0.0276 0.0774
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0166 0.2228 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.052 0.0878
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0014 0.0071 0.0121
Schistosoma mansoni transcription factor LCR-F1 0.007 0.0874 0.1477
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0018 0.0136 0.0136
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0257 0.1655
Trichomonas vaginalis glutathione reductase, putative 0.0017 0.0121 0.0855
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0017 0.0121 0.0007
Echinococcus multilocularis lamin 0.0027 0.0257 0.0434
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0018 0.0136 0.0136
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0015 0.0025
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0018 0.0136 0.0136
Schistosoma mansoni ap endonuclease 0.002 0.0157 0.0265
Brugia malayi hypothetical protein 0.001 0.0015 0.0015
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0017 0.0121 0.0007
Plasmodium vivax glutathione reductase, putative 0.0049 0.0577 0.7219
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.052 0.0878
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0018 0.0136 0.0136
Plasmodium falciparum basic transcription factor 3b, putative 0.0035 0.0369 0.4379
Echinococcus granulosus geminin 0.0177 0.238 0.4023
Schistosoma mansoni steroid hormone receptor ad4bp 0.0018 0.0136 0.0229
Brugia malayi chromobox protein homolog 3 0.0041 0.0455 0.0455
Echinococcus multilocularis ecdysone induced protein 78C 0.0018 0.0136 0.0229
Onchocerca volvulus 0.0032 0.0331 0.6629
Leishmania major basic transcription factor 3a, putative 0.0035 0.0369 0.1212
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0064 0.0781 0.0674
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0017 0.0112 0.019
Brugia malayi CHD4 protein 0.0014 0.0071 0.0071
Mycobacterium ulcerans NAD-dependent aldehyde dehydrogenase AldA 0.0028 0.0276 0.0164
Schistosoma mansoni cpg binding protein 0.0032 0.0327 0.0553
Loa Loa (eye worm) hypothetical protein 0.0018 0.0136 0.0874
Brugia malayi Type III restriction enzyme, res subunit family protein 0.0012 0.0047 0.0047
Loa Loa (eye worm) hypothetical protein 0.0012 0.0054 0.035
Loa Loa (eye worm) hypothetical protein 0.001 0.0015 0.0094
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0121 0.0041
Trypanosoma cruzi cytochrome P450, putative 0.0017 0.0114 0.001
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0018 0.0136 0.0136
Loa Loa (eye worm) hypothetical protein 0.0018 0.0136 0.0874
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0008 0.0008
Brugia malayi MH2 domain containing protein 0.0118 0.1551 0.1551
Brugia malayi glutathione reductase 0.0049 0.0577 0.0577
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0018 0.0136 0.0136
Trypanosoma cruzi trypanothione reductase, putative 0.0049 0.0577 0.2196
Loa Loa (eye worm) helicase 0.0012 0.0047 0.0305
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0017 0.0121 0.0204
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0017 0.0121 0.0009
Trichomonas vaginalis chromobox protein, putative 0.0044 0.0499 0.5254
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.0121 0.0041
Mycobacterium tuberculosis Probable dehydrogenase 0.0113 0.1471 0.1374
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0113 0.1471 0.1374
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0125 0.1649 0.1554
Mycobacterium ulcerans NAD-dependent aldehyde dehydrogenase AldA 0.0028 0.0276 0.0164
Entamoeba histolytica hypothetical protein 0.007 0.0874 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0019 0.0143 0.1117
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0064 0.0781 1
Mycobacterium ulcerans hypothetical protein 0.0064 0.0781 0.0674
Echinococcus granulosus ornithine aminotransferase 0.0064 0.0781 0.132
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0166 0.2228 0.214
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0015 0.0015
Entamoeba histolytica hypothetical protein 0.0035 0.0369 0.3886
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0157 0.021
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0018 0.0136 0.0229
Loa Loa (eye worm) CHromoDomain protein family member 0.0014 0.0071 0.0461
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0064 0.0781 0.0674
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0013 0.0057 0.0096
Onchocerca volvulus 0.0027 0.0257 0.5141
Trypanosoma cruzi transcription factor btf3, putative 0.0035 0.0369 0.1212
Echinococcus multilocularis geminin 0.0177 0.238 0.4023
Loa Loa (eye worm) hypothetical protein 0.0012 0.0047 0.0305
Loa Loa (eye worm) hypothetical protein 0.001 0.0015 0.0094
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0455 0.4746
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0113 0.1471 0.1374
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0017 0.0121 0.0041
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0018 0.0136 0.0229
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.0121 0.0041
Brugia malayi beta-NAC-like protein 0.0035 0.0369 0.0369
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0064 0.0781 0.0676
Brugia malayi Cytochrome P450 family protein 0.0017 0.0114 0.0114
Entamoeba histolytica hypothetical protein 0.007 0.0874 1
Schistosoma mansoni thyroid hormone receptor 0.0018 0.0136 0.0229
Schistosoma mansoni intermediate filament proteins 0.0027 0.0257 0.0434
Loa Loa (eye worm) glutathione reductase 0.0049 0.0577 0.372
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0369 0.3736
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0064 0.0781 0.8531
Schistosoma mansoni hypothetical protein 0.0177 0.238 0.4023
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0017 0.0121 0.1002
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0369 0.3736
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0157 0.021
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0015 0.0015
Schistosoma mansoni thyroid hormone receptor 0.0018 0.0136 0.0229
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.001 0.0015 0.0025
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.052 0.0878
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0303 0.1953
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0017 0.0112 0.0884
Plasmodium falciparum thioredoxin reductase 0.0049 0.0577 0.7219
Brugia malayi intermediate filament protein 0.0027 0.0257 0.0257
Schistosoma mansoni hypothetical protein 0.0177 0.238 0.4023
Loa Loa (eye worm) hypothetical protein 0.0012 0.0047 0.0305
Trichomonas vaginalis mercuric reductase, putative 0.0017 0.0121 0.0855
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.1551 1
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0017 0.0121 0.0041
Echinococcus multilocularis chromobox protein 1 0.0073 0.0907 0.1534
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0064 0.0781 0.0676
Onchocerca volvulus 0.0018 0.0136 0.2714
Brugia malayi Isocitrate dehydrogenase 0.0017 0.0112 0.0112
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0061 0.0104
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0018 0.0136 0.0874
Echinococcus granulosus Chromobox protein 3 0.0012 0.0047 0.008
Loa Loa (eye worm) thioredoxin reductase 0.0049 0.0577 0.372
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0157 1
Brugia malayi hypothetical protein 0.0012 0.0047 0.0047
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0017 0.0112 0.019
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0014 0.0071 0.0121
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.001 0.0015 0.0025
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0019 0.0143 0.1117
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0112 0.019
Mycobacterium leprae Probable Acetylornithine aminotransferase ArgD 0.0064 0.0781 0.3679
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0018 0.0136 0.0229
Echinococcus multilocularis Aminotransferase class III 0.0064 0.0781 0.132
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0017 0.0121 0.0041
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0019 0.0143 0.1117
Schistosoma mansoni hypothetical protein 0.0054 0.0642 0.1086
Trichomonas vaginalis chromobox protein, putative 0.0073 0.0907 1
Trypanosoma brucei trypanothione reductase 0.0049 0.0577 0.2196
Loa Loa (eye worm) ICD-1 protein 0.0035 0.0369 0.2377
Loa Loa (eye worm) hypothetical protein 0.0041 0.0455 0.2937
Mycobacterium leprae PROBABLE GLUTAMATE-1-SEMIALDEHYDE 2,1-AMINOMUTASE HEML (GSA) (GLUTAMATE-1-SEMIALDEHYDE AMINOTRANSFERASE) (GSA-AT) 0.0064 0.0781 0.3679
Echinococcus granulosus chromodomain helicase DNA binding protein 1 0.0012 0.0047 0.008
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0166 0.2228 0.2138
Brugia malayi Associated with TFs and helicases family protein 0.0012 0.0047 0.0047
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.0121 0.0041
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.0121 0.0041
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.001 0.0017
Loa Loa (eye worm) cytochrome P450 family protein 0.0017 0.0114 0.0737
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.0121 0.0041
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0157 0.0265
Schistosoma mansoni transcription factor btf3 0.0035 0.0369 0.0623
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0014 0.0071 0.0121
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0018 0.0136 0.0874
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.0081 0.0081
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0018 0.0136 0.0229
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0017 0.0112 0.019
Loa Loa (eye worm) hypothetical protein 0.0018 0.0136 0.0874
Plasmodium vivax thioredoxin reductase, putative 0.0049 0.0577 0.7219
Schistosoma mansoni coup transcription factor 0.0018 0.0136 0.0229
Echinococcus multilocularis chromodomain helicase DNA binding protein 1 0.0012 0.0047 0.008
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0113 0.1471 0.1374
Echinococcus granulosus chromobox protein 1 0.0073 0.0907 0.1534
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0015 0.0092 0.0518
Echinococcus multilocularis thioredoxin glutathione reductase 0.0049 0.0577 0.0975
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0121 0.0041
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0287 0.2789
Schistosoma mansoni RAR-like nuclear receptor 0.0018 0.0136 0.0229
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0018 0.0136 0.0874
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.052 0.0878
Loa Loa (eye worm) hypothetical protein 0.0012 0.0047 0.0305
Schistosoma mansoni chromobox protein 0.0012 0.0047 0.008
Schistosoma mansoni cpg binding protein 0.003 0.0303 0.0512
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0157 0.021
Echinococcus multilocularis FTZ F1 alpha 0.0018 0.0136 0.0229
Leishmania major cytochrome p450-like protein 0.0017 0.0114 0.001
Schistosoma mansoni ap endonuclease 0.002 0.0157 0.0265
Echinococcus multilocularis succinate semialdehyde dehydrogenase 0.0028 0.0276 0.0467
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0017 0.0121 0.0007
Onchocerca volvulus Bile acid receptor homolog 0.0018 0.0136 0.2714
Echinococcus granulosus ecdysone induced protein 78C 0.0018 0.0136 0.0229
Trypanosoma brucei cytochrome P450, putative 0.0017 0.0114 0.001
Trichomonas vaginalis conserved hypothetical protein 0.0016 0.0099 0.0599
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0125 0.1649 0.1554
Echinococcus granulosus intermediate filament protein 0.0027 0.0257 0.0434
Trichomonas vaginalis chromobox protein, putative 0.0044 0.0499 0.5254
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0157 0.0045
Leishmania major aldehyde dehydrogenase, putative 0.0028 0.0276 0.0774
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0369 0.3736
Brugia malayi hypothetical protein 0.007 0.0874 0.0874

Activities

Activity type Activity value Assay description Source Reference
KL (binding) = 720 nM Binding affinity towards low-affinity site of Atrial natriuretic peptide receptor 1 of rabbit adrenal membrane ChEMBL. 1347790

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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