Detailed information for compound 1044155

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 869.945 | Formula: C41H47N11O9S
  • H donors: 9 H acceptors: 9 LogP: 1.09 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 3
  • SMILES: O[C@@H]1C[C@H]2N(C1)C(=O)c1cc(ccc1SC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC2=O)Cc1ccccc1)CCCNC(=N)N)Cc1c[nH]c2c1cccc2)C(=O)N)[N+](=O)[O-]
  • InChi: 1S/C41H47N11O9S/c42-35(54)32-21-62-34-13-12-24(52(60)61)17-27(34)40(59)51-20-25(53)18-33(51)39(58)49-30(15-22-7-2-1-3-8-22)37(56)47-29(11-6-14-45-41(43)44)36(55)48-31(38(57)50-32)16-23-19-46-28-10-5-4-9-26(23)28/h1-5,7-10,12-13,17,19,25,29-33,46,53H,6,11,14-16,18,20-21H2,(H2,42,54)(H,47,56)(H,48,55)(H,49,58)(H,50,57)(H4,43,44,45)/t25-,29+,30-,31+,32+,33-/m1/s1
  • InChiKey: HJUBFHJODKBYLU-NQRRPDTPSA-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 lamin 0.0028 0.0346 0.0601
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0123 0.3767 0.449
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0062 0.1571 0.2647
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0169 0.5399 0.6469
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0427 0.0366
Schistosoma mansoni jumonji domain containing protein 0.0075 0.2025 0.2025
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0378 0.0655
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0158 0.5027 0.5027
Schistosoma mansoni serine/threonine protein kinase 0.0097 0.2842 0.2842
Onchocerca volvulus Alhambra homolog 0.0029 0.0378 0.044
Brugia malayi jmjC domain containing protein 0.0094 0.2717 0.2717
Leishmania major hypothetical protein, conserved 0.0039 0.0752 0.121
Schistosoma mansoni glutaminase 0.0297 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0686 0.0627
Echinococcus granulosus chromobox protein 1 0.0076 0.2064 0.3583
Echinococcus multilocularis chromobox protein 1 0.0076 0.2064 0.3583
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0063 0.0063
Echinococcus multilocularis lysosomal alpha glucosidase 0.0168 0.5374 0.9329
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0686 0.1094
Echinococcus granulosus GPCR family 2 0.005 0.1146 0.1989
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0512 0.0889
Echinococcus multilocularis geminin 0.0164 0.5218 0.9058
Mycobacterium tuberculosis Conserved protein 0.0039 0.0752 0.0835
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0512 0.0512
Schistosoma mansoni hypothetical protein 0.005 0.1146 0.1146
Plasmodium falciparum glutathione reductase 0.0062 0.1571 0.2217
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0094 0.2717 0.4717
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.005 0.1146 0.1989
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.2842 0.2797
Mycobacterium ulcerans hypothetical protein 0.0039 0.0752 0.0694
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.2842 0.2797
Loa Loa (eye worm) hypothetical protein 0.0039 0.0752 0.0752
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0871 0.1015
Schistosoma mansoni intermediate filament proteins 0.0028 0.0346 0.0346
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0512 0.0512
Trichomonas vaginalis glutathione reductase, putative 0.0062 0.1571 0.1518
Loa Loa (eye worm) glutathione reductase 0.0179 0.576 0.576
Loa Loa (eye worm) hypothetical protein 0.0039 0.0752 0.0752
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.1473 0.1473
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.005 0.1146 0.1146
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0594 0.1031
Trichomonas vaginalis chromobox protein, putative 0.0076 0.2064 0.2014
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0346 0.0346
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0752 0.0694
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0871 0.0813
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0179 0.576 0.6907
Trichomonas vaginalis set domain proteins, putative 0.0257 0.8578 0.8569
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0378 0.0378
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0123 0.3767 0.449
Echinococcus multilocularis thyroid hormone receptor alpha 0.0139 0.4349 0.755
Schistosoma mansoni hypothetical protein 0.005 0.1146 0.1146
Onchocerca volvulus 0.0045 0.0957 0.1115
Brugia malayi intermediate filament protein 0.0028 0.0346 0.0346
Brugia malayi beta-lactamase family protein 0.0039 0.0752 0.0752
Trichomonas vaginalis CAMK family protein kinase 0.0048 0.1078 0.1022
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0094 0.2717 0.4717
Plasmodium vivax SET domain protein, putative 0.0032 0.0512 0.025
Loa Loa (eye worm) hypothetical protein 0.0039 0.0752 0.0752
Trypanosoma brucei polo-like protein kinase 0.0097 0.2842 0.4878
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0239 0.7914 0.7914
Brugia malayi latrophilin 2 splice variant baaae 0.0108 0.3231 0.3231
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0752 0.0694
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0346 0.0346
Plasmodium vivax thioredoxin reductase, putative 0.0179 0.576 1
Brugia malayi chromobox protein homolog 3 0.0042 0.0871 0.0871
Brugia malayi PHD-finger family protein 0.0029 0.0378 0.0378
Schistosoma mansoni alpha-glucosidase 0.0145 0.4535 0.4535
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0062 0.1571 0.2647
Toxoplasma gondii ABC1 family protein 0.0039 0.0752 0.0696
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0123 0.3767 0.449
Echinococcus granulosus neutral alpha glucosidase AB 0.0037 0.0686 0.1191
Mycobacterium ulcerans esterase/lipase LipP 0.0039 0.0752 0.0694
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0062 0.1571 0.2727
Brugia malayi Pre-SET motif family protein 0.0032 0.0512 0.0512
Schistosoma mansoni DNA polymerase eta 0.002 0.0063 0.0063
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0097 0.2842 0.4934
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0097 0.2842 0.4878
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0062 0.1571 0.2647
Mycobacterium tuberculosis Conserved protein 0.0039 0.0752 0.0835
Loa Loa (eye worm) hypothetical protein 0.0039 0.0752 0.0752
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0427 0.0366
Brugia malayi Thioredoxin reductase 0.0179 0.576 0.576
Echinococcus multilocularis neutral alpha glucosidase AB 0.0037 0.0686 0.1191
Loa Loa (eye worm) hypothetical protein 0.0029 0.0378 0.0378
Echinococcus multilocularis lysosomal alpha glucosidase 0.0168 0.5374 0.9329
Onchocerca volvulus 0.0039 0.0752 0.0877
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0062 0.1571 0.2647
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.005 0.1146 0.1989
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0063 0.0063
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0512 0.0512
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0062 0.1571 0.2217
Echinococcus multilocularis beta LACTamase domain containing family member 0.0039 0.0752 0.1305
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0062 0.1571 0.1828
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0063 0.0063
Toxoplasma gondii thioredoxin reductase 0.0179 0.576 1
Onchocerca volvulus 0.0033 0.0542 0.0632
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.0594 0.1031
Mycobacterium ulcerans glutaminase 0.0297 1 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0062 0.1571 0.2647
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0752 0.121
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0512 0.025
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0063 0.0063
Mycobacterium tuberculosis Probable lipase LipE 0.0039 0.0752 0.0835
Echinococcus granulosus thioredoxin glutathione reductase 0.0179 0.576 1
Trypanosoma cruzi trypanothione reductase, putative 0.0062 0.1571 0.2647
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0062 0.1571 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0169 0.5399 0.6469
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0062 0.1571 0.2647
Schistosoma mansoni lamin 0.0028 0.0346 0.0346
Brugia malayi jmjC domain containing protein 0.0035 0.0594 0.0594
Loa Loa (eye worm) hypothetical protein 0.0039 0.0752 0.0752
Onchocerca volvulus 0.0028 0.0346 0.0404
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0062 0.1571 0.1518
Toxoplasma gondii NADPH-glutathione reductase 0.0062 0.1571 0.2217
Trichomonas vaginalis chromobox protein, putative 0.0076 0.2064 0.2014
Schistosoma mansoni kinase 0.005 0.1124 0.1124
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0045 0.0957 0.0957
Brugia malayi Bromodomain containing protein 0.0029 0.0378 0.0378
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0046 0.0981 0.0981
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.2842 0.2797
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0039 0.0752 0.0835
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0169 0.5399 0.6469
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0226 0.7458 0.7458
Trichomonas vaginalis chromobox protein, putative 0.0046 0.0986 0.0929
Trypanosoma brucei trypanothione reductase 0.0179 0.576 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0686 0.0627
Onchocerca volvulus 0.0257 0.8578 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0097 0.2842 0.3313
Leishmania major alpha glucosidase II subunit, putative 0.0037 0.0686 0.1094
Loa Loa (eye worm) latrophilin receptor protein 2 0.005 0.1146 0.1146
Brugia malayi beta-lactamase 0.0039 0.0752 0.0752
Mycobacterium tuberculosis Probable reductase 0.0123 0.3767 0.449
Mycobacterium tuberculosis Conserved protein 0.0039 0.0752 0.0835
Plasmodium falciparum glutathione reductase 0.0179 0.576 1
Mycobacterium tuberculosis Probable esterase LipL 0.0039 0.0752 0.0835
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0871 0.0813
Mycobacterium tuberculosis Probable hydrolase 0.0039 0.0752 0.0835
Loa Loa (eye worm) hypothetical protein 0.0027 0.0328 0.0328
Mycobacterium ulcerans beta-lactamase 0.0039 0.0752 0.0694
Loa Loa (eye worm) beta-lactamase 0.0039 0.0752 0.0752
Entamoeba histolytica serine/threonine protein kinase, putative 0.0097 0.2842 1
Trichomonas vaginalis esterase, putative 0.0039 0.0752 0.0694
Echinococcus multilocularis jumonji domain containing protein 0.004 0.078 0.1355
Loa Loa (eye worm) glutaminase 0.0297 1 1
Onchocerca volvulus 0.0039 0.0752 0.0877
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0062 0.1571 0.2647
Brugia malayi Heterochromatin protein 1 0.0076 0.2064 0.2064
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0097 0.2842 0.4934
Echinococcus granulosus lamin 0.0028 0.0346 0.0601
Echinococcus granulosus lysosomal alpha glucosidase 0.0168 0.5374 0.9329
Brugia malayi Glycosyl hydrolases family 31 protein 0.0168 0.5374 0.5374
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0062 0.1571 0.2647
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0062 0.1571 0.2217
Brugia malayi Glycosyl hydrolases family 31 protein 0.0037 0.0686 0.0686
Trichomonas vaginalis maltase-glucoamylase, putative 0.0037 0.0686 0.0627
Echinococcus multilocularis dna polymerase eta 0.002 0.0063 0.0109
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0169 0.5399 1
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0062 0.1571 0.2647
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0062 0.1571 0.2217
Onchocerca volvulus 0.0028 0.0346 0.0404
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0062 0.1571 0.2647
Echinococcus multilocularis peregrin 0.0029 0.0378 0.0655
Brugia malayi serine/threonine-protein kinase plk-2 0.0097 0.2842 0.2842
Schistosoma mansoni hypothetical protein 0.0108 0.3231 0.3231
Trypanosoma cruzi polo-like protein kinase, putative 0.0097 0.2842 0.4878
Trypanosoma brucei hypothetical protein, conserved 0.0039 0.0752 0.121
Loa Loa (eye worm) heterochromatin protein 1 0.0076 0.2064 0.2064
Mycobacterium tuberculosis Possible penicillin-binding protein 0.025 0.8312 1
Trichomonas vaginalis CAMK family protein kinase 0.0048 0.1078 0.1022
Brugia malayi Latrophilin receptor protein 2 0.005 0.1146 0.1146
Loa Loa (eye worm) hypothetical protein 0.005 0.1146 0.1146
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0039 0.0752 0.0694
Echinococcus multilocularis lamin dm0 0.0028 0.0346 0.0601
Loa Loa (eye worm) hypothetical protein 0.0039 0.0752 0.0752
Echinococcus multilocularis dna polymerase kappa 0.002 0.0063 0.0109
Loa Loa (eye worm) hypothetical protein 0.0033 0.0542 0.0542
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0686 0.0627
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0062 0.1571 0.1518
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.2842 0.2797
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.2842 0.2797
Brugia malayi Calcitonin receptor-like protein seb-1 0.0158 0.5027 0.5027
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0037 0.0686 0.0627
Brugia malayi follicle stimulating hormone receptor 0.0239 0.7914 0.7914
Schistosoma mansoni alpha-glucosidase 0.0145 0.4535 0.4535
Echinococcus granulosus peregrin 0.0029 0.0378 0.0655
Echinococcus granulosus intermediate filament protein 0.0028 0.0346 0.0601
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0062 0.1571 0.2647
Echinococcus granulosus lamin dm0 0.0028 0.0346 0.0601
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.2842 0.2797
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0123 0.3767 0.449
Schistosoma mansoni hypothetical protein 0.0122 0.3733 0.3733
Mycobacterium tuberculosis Probable lipase LipD 0.0039 0.0752 0.0835
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.005 0.1146 0.1989
Schistosoma mansoni alpha glucosidase 0.0037 0.0686 0.0686
Plasmodium falciparum thioredoxin reductase 0.0062 0.1571 0.2217
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0062 0.1571 0.2647
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0752 0.0694
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0062 0.1571 0.1571
Schistosoma mansoni lamin 0.0028 0.0346 0.0346
Echinococcus multilocularis chromobox protein 1 0.0076 0.2064 0.3583
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0062 0.1571 0.2647
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0512 0.0889
Schistosoma mansoni thyroid hormone receptor 0.0139 0.4349 0.4349
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0097 0.2842 0.2842
Mycobacterium ulcerans lipase LipD 0.0039 0.0752 0.0694
Schistosoma mansoni hypothetical protein 0.005 0.1146 0.1146
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0752 0.121
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.2842 0.2797
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0594 0.0594
Plasmodium vivax glutathione reductase, putative 0.0179 0.576 1
Brugia malayi beta-lactamase family protein 0.0039 0.0752 0.0752
Schistosoma mansoni chromobox protein 0.0076 0.2064 0.2064
Brugia malayi glutaminase DH11.1 0.0297 1 1
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0122 0.3733 0.648
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0037 0.0686 0.0573
Loa Loa (eye worm) thioredoxin reductase 0.0179 0.576 0.576
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0039 0.0752 0.0835
Trichomonas vaginalis mercuric reductase, putative 0.0062 0.1571 0.1518
Trypanosoma cruzi trypanothione reductase, putative 0.0179 0.576 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0063 0.0109
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0062 0.1571 0.5
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0062 0.1571 0.2727
Loa Loa (eye worm) hypothetical protein 0.002 0.0063 0.0063
Echinococcus granulosus dna polymerase kappa 0.002 0.0063 0.0109
Schistosoma mansoni hypothetical protein 0.0164 0.5218 0.5218
Trypanosoma cruzi polo-like protein kinase, putative 0.0097 0.2842 0.4878
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0686 0.0627
Echinococcus multilocularis thioredoxin glutathione reductase 0.0179 0.576 1
Plasmodium vivax hypothetical protein, conserved 0.0039 0.0752 0.0696
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0469 0.0815
Loa Loa (eye worm) hypothetical protein 0.0049 0.1112 0.1112
Loa Loa (eye worm) hypothetical protein 0.0028 0.0346 0.0346
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0037 0.0686 0.2242
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0039 0.0752 0.0835
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0062 0.1571 0.1571
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.005 0.1146 0.1989
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0037 0.0686 0.0686
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0752 0.0694
Loa Loa (eye worm) hypothetical protein 0.0108 0.3231 0.3231
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0062 0.1571 0.2647
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0062 0.1571 0.2217
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0594 0.0594
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0062 0.1571 0.5
Trypanosoma brucei glucosidase, putative 0.0037 0.0686 0.1094
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0063 0.0109
Onchocerca volvulus 0.0097 0.2834 0.3303
Echinococcus granulosus chromobox protein 1 0.0076 0.2064 0.3583
Echinococcus granulosus dna polymerase eta 0.002 0.0063 0.0109
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0062 0.1571 0.2217
Schistosoma mansoni thyroid hormone receptor 0.0139 0.4349 0.4349
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0686 0.0627
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0062 0.1571 0.2647
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0037 0.0686 0.2242
Schistosoma mansoni hypothetical protein 0.0164 0.5218 0.5218
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0062 0.1571 0.2647
Trichomonas vaginalis sucrase-isomaltase, putative 0.0037 0.0686 0.0627
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0046 0.0981 0.0981
Echinococcus granulosus geminin 0.0164 0.5218 0.9058
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0039 0.0752 0.0752
Giardia lamblia PHD finger protein 15 0.0029 0.0378 0.1132
Loa Loa (eye worm) hypothetical protein 0.0042 0.0871 0.0871
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0378 0.0378
Schistosoma mansoni hypothetical protein 0.0029 0.0378 0.0378
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0512 0.0889
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0168 0.5374 0.5374
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0752 0.0694
Onchocerca volvulus 0.0039 0.0752 0.0877
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0037 0.0686 0.0627
Treponema pallidum NADH oxidase 0.0062 0.1571 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0752 0.0752
Leishmania major trypanothione reductase 0.0179 0.576 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0512 0.0512
Schistosoma mansoni chromobox protein 0.0076 0.2064 0.2064
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0039 0.0752 0.0752
Mycobacterium tuberculosis Probable dehydrogenase 0.0123 0.3767 0.449
Schistosoma mansoni hypothetical protein 0.005 0.1146 0.1146
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0346 0.0346
Plasmodium falciparum thioredoxin reductase 0.0179 0.576 1
Echinococcus granulosus jumonji domain containing protein 0.004 0.078 0.1355
Echinococcus multilocularis musashi 0.0028 0.0346 0.0601
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0158 0.5027 0.5027
Trichomonas vaginalis chromobox protein, putative 0.0046 0.0986 0.0929
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0063 0.0063
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0594 0.0594
Giardia lamblia Kinase, PLK 0.0097 0.2842 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.0062 0.1571 0.5426
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0123 0.3767 0.6488
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0686 0.1094
Trichomonas vaginalis glutaminase, putative 0.0297 1 1
Brugia malayi glutathione reductase 0.0179 0.576 0.576
Loa Loa (eye worm) hypothetical protein 0.0158 0.5027 0.5027
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0046 0.0986 0.115
Brugia malayi Pre-SET motif family protein 0.0226 0.7458 0.7458
Echinococcus granulosus beta LACTamase domain containing family member 0.0039 0.0752 0.1305
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0752 0.0752
Echinococcus multilocularis GPCR, family 2 0.005 0.1146 0.1989
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0062 0.1571 0.1518
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0122 0.3733 0.648
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0378 0.0655

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 0 % Agonist activity at human melanocortin 4 receptor expressed in HEK293 cells assessed as cAMP accumulation at 10 uM realtive to MT2 ChEMBL. 18412316
Activity (functional) = 0 % Agonist activity at human melanocortin 5 receptor expressed in HEK293 cells assessed as cAMP accumulation at 10 uM realtive to MT2 ChEMBL. 18412316
Activity (functional) = 0 % Agonist activity at human melanocortin 3 receptor expressed in HEK293 cells assessed as cAMP accumulation at 10 uM realtive to MT2 ChEMBL. 18412316
Activity (functional) = 0 % Agonist activity at human melanocortin 1 receptor expressed in HEK293 cells assessed as cAMP accumulation at 10 uM realtive to MT2 ChEMBL. 18412316

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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