Detailed information for compound 1481373

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 521.714 | Formula: C30H39N3O3S
  • H donors: 2 H acceptors: 3 LogP: 5.58 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC(Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(C(C)C)Cc1ccccc1)C
  • InChi: 1S/C30H39N3O3S/c1-23(2)20-25-12-16-29(17-13-25)37(35,36)32-21-26-10-14-28(15-11-26)30(34)31-18-19-33(24(3)4)22-27-8-6-5-7-9-27/h5-17,23-24,32H,18-22H2,1-4H3,(H,31,34)
  • InChiKey: GWCAQZNWHULOSU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens opioid receptor, kappa 1 Starlite/ChEMBL No references

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
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0035 0.0056 0.0077
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0206 0.0585 0.2173
Schistosoma mansoni cercarial elastase (S01 family) 0.0022 0.0014 0.0126
Loa Loa (eye worm) MH2 domain-containing protein 0.0019 0.0005 0.0033
Echinococcus multilocularis smad 0.0019 0.0005 0.0018
Echinococcus multilocularis cathepsin L cysteine protease 0.0018 0.0005 0.0016
Echinococcus granulosus Mastin 0.0022 0.0014 0.0126
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0886 0.2693 1
Brugia malayi MH1 domain containing protein 0.0019 0.0005 0.0007
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0019 0.0005 0.002
Echinococcus granulosus Peptidase C54 0.0067 0.0156 0.1388
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0018 0.0005 0.003
Echinococcus granulosus cathepsin l cysteine peptidase 0.0018 0.0005 0.004
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0109 0.0972
Echinococcus granulosus enteropeptidase 0.0022 0.0014 0.0126
Schistosoma mansoni cercarial elastase (S01 family) 0.0022 0.0014 0.0126
Plasmodium vivax thioredoxin reductase, putative 0.0054 0.0115 0.0427
Mycobacterium tuberculosis Probable oxidoreductase 0.0137 0.0372 0.4882
Entamoeba histolytica hypothetical protein 0.0082 0.0202 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.0156 0.1045
Echinococcus multilocularis cysteine protease 0.0018 0.0005 0.0016
Brugia malayi Cathepsin L-like precursor 0.0018 0.0005 0.0006
Onchocerca volvulus 0.0041 0.0075 0.007
Loa Loa (eye worm) MH1 domain-containing protein 0.0019 0.0005 0.0033
Onchocerca volvulus 0.0022 0.0014 0.001
Schistosoma mansoni family C54 unassigned peptidase (C54 family) 0.0067 0.0156 0.1388
Entamoeba histolytica peptidase, C54 family 0.0026 0.0029 0.123
Loa Loa (eye worm) hypothetical protein 0.0041 0.0075 0.0501
Loa Loa (eye worm) hypothetical protein 0.0033 0.0049 0.0329
Mycobacterium tuberculosis Probable reductase 0.0123 0.033 0.4322
Leishmania major AUT2/APG4/ATG4 cysteine peptidase, putative 0.0026 0.0029 0.0107
Loa Loa (eye worm) hypothetical protein 0.0022 0.0014 0.0095
Leishmania major cathepsin L-like protease 0.0018 0.0005 0.0017
Loa Loa (eye worm) trypsin family protein 0.0022 0.0014 0.0095
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.0046 0.0404
Brugia malayi Trypsin family protein 0.0022 0.0014 0.002
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0033 0.0049 0.0175
Loa Loa (eye worm) hypothetical protein 0.0041 0.0075 0.0501
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0019 0.0005 0.0007
Schistosoma mansoni hypothetical protein 0.0035 0.0056 0.0495
Echinococcus granulosus cathepsin l1 0.0018 0.0005 0.004
Brugia malayi beta-lactamase family protein 0.0041 0.0075 0.0103
Trichomonas vaginalis bromodomain-containing protein, putative 0.0047 0.0093 0.1176
Loa Loa (eye worm) intermediate filament protein 0.0061 0.0135 0.0902
Echinococcus multilocularis glycoprotein Antigen 5 0.0022 0.0014 0.005
Loa Loa (eye worm) hypothetical protein 0.0041 0.0075 0.0501
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0109 0.0972
Schistosoma mansoni hypothetical protein 0.0022 0.0014 0.0126
Echinococcus multilocularis cathepsin L cysteine protease 0.0018 0.0005 0.0016
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0075 0.0937
Loa Loa (eye worm) inositol-1 0.0041 0.0073 0.0491
Brugia malayi cytoplasmic intermediate filament protein 0.0032 0.0048 0.0066
Echinococcus granulosus TGF beta signal transducer SmadC 0.0019 0.0005 0.0044
Plasmodium vivax vivapain-2 0.0018 0.0005 0.0017
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0073 0.0273
Onchocerca volvulus 0.0041 0.0075 0.007
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0022 0.0014 0.0126
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0018 0.0005 0.003
Loa Loa (eye worm) hypothetical protein 0.0018 0.0005 0.003
Loa Loa (eye worm) Smad1 0.0019 0.0005 0.0033
Schistosoma mansoni hypothetical protein 0.0076 0.0182 0.1613
Echinococcus multilocularis Peptidase C54 0.0067 0.0156 0.0554
Brugia malayi intermediate filament protein 0.0061 0.0135 0.0186
Toxoplasma gondii ABC1 family protein 0.0041 0.0075 0.0278
Plasmodium falciparum thioredoxin reductase 0.0054 0.0115 0.0427
Echinococcus granulosus geminin 0.0381 0.1127 1
Echinococcus multilocularis Smad4 0.0019 0.0005 0.0018
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0137 0.0372 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0111 0.029 0.04
Trypanosoma brucei AUT2/APG4/ATG4 cysteine peptidase, putative 0.0067 0.0156 0.0581
Echinococcus granulosus cathepsin L cysteine proteinase 0.0018 0.0005 0.004
Onchocerca volvulus Phospholipase A2 homolog 0.05 0.1497 0.1493
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0019 0.0005 0.002
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.0165 0.0614
Loa Loa (eye worm) latrophilin receptor protein 2 0.0035 0.0056 0.0373
Schistosoma mansoni aldehyde dehydrogenase 0.0206 0.0585 0.5194
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0029 0.0038 0.0134
Schistosoma mansoni lamin 0.0061 0.0135 0.1199
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0109 0.0972
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0049 0.0437
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0005 0.002
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0041 0.0073 0.0273
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0005 0.002
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0019 0.0005 0.002
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0229 0.0658 0.4398
Schistosoma mansoni cercarial elastase (S01 family) 0.0022 0.0014 0.0126
Leishmania major cathepsin L-like protease 0.0018 0.0005 0.0017
Schistosoma mansoni Smad4 0.0019 0.0005 0.0044
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0022 0.0014 0.005
Echinococcus granulosus mothers against decapentaplegic 5 0.0019 0.0005 0.0044
Echinococcus granulosus thioredoxin glutathione reductase 0.0054 0.0115 0.102
Trypanosoma cruzi trypanothione reductase, putative 0.0054 0.0115 0.0427
Trichomonas vaginalis mercuric reductase, putative 0.0019 0.0005 0.0012
Echinococcus granulosus Smad4 0.0019 0.0005 0.0044
Trypanosoma cruzi cysteine peptidase, putative 0.0018 0.0005 0.0017
Toxoplasma gondii LsmAD domain-containing protein 0.0085 0.0212 0.0788
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0041 0.0073 0.3487
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.0165 0.0614
Loa Loa (eye worm) fibroinase 0.0018 0.0005 0.003
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0019 0.0005 0.002
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0019 0.0005 0.002
Schistosoma mansoni cercarial elastase (S01 family) 0.0022 0.0014 0.0126
Mycobacterium ulcerans hypothetical protein 0.0041 0.0075 0.12
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0019 0.0005 0.0071
Brugia malayi Intermediate filament tail domain containing protein 0.0061 0.0135 0.0186
Echinococcus multilocularis geminin 0.0381 0.1127 0.3994
Brugia malayi Pre-SET motif family protein 0.0229 0.0658 0.0907
Onchocerca volvulus 0.0041 0.0075 0.007
Mycobacterium tuberculosis Conserved protein 0.0041 0.0075 0.0983
Brugia malayi beta-lactamase 0.0041 0.0075 0.0103
Entamoeba histolytica peptidase, C54 family 0.0026 0.0029 0.123
Leishmania major trypanothione reductase 0.0054 0.0115 0.0427
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0022 0.0014 0.0126
Brugia malayi Cathepsin L-like precursor 0.0018 0.0005 0.0006
Giardia lamblia Telomerase catalytic subunit 0.0886 0.2693 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0018 0.0005 0.0016
Leishmania major telomerase reverse transcriptase, putative 0.0886 0.2693 1
Plasmodium vivax glutathione reductase, putative 0.0054 0.0115 0.0427
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0049 0.0437
Trichomonas vaginalis Clan CA, family C54, ATG4-like cysteine peptidase 0.0067 0.0156 0.202
Trichomonas vaginalis glutathione reductase, putative 0.0019 0.0005 0.0012
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0263 0.0763 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0022 0.0014 0.0126
Brugia malayi acetyltransferase, GNAT family protein 0.016 0.0442 0.061
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0123 0.033 0.4322
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0206 0.0585 0.2075
Trypanosoma cruzi cysteine peptidase, Clan CA, family C54, putative 0.0026 0.0029 0.0107
Leishmania major cathepsin L-like protease 0.007 0.0165 0.0614
Loa Loa (eye worm) hypothetical protein 0.0022 0.0014 0.0095
Loa Loa (eye worm) hypothetical protein 0.0041 0.0075 0.0501
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0064 0.0146 0.0543
Loa Loa (eye worm) hypothetical protein 0.0041 0.0075 0.0501
Loa Loa (eye worm) hypothetical protein 0.0041 0.0075 0.0501
Plasmodium falciparum ataxin-2 like protein, putative 0.0085 0.0212 0.0788
Loa Loa (eye worm) hypothetical protein 0.0028 0.0034 0.023
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.0165 0.0614
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0022 0.0014 0.0126
Mycobacterium tuberculosis Probable dehydrogenase 0.0123 0.033 0.4322
Echinococcus multilocularis lamin dm0 0.0061 0.0135 0.0479
Schistosoma mansoni cercarial elastase (S01 family) 0.0022 0.0014 0.0126
Brugia malayi Trypsin family protein 0.0022 0.0014 0.002
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.0165 0.0614
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.0109 0.0388
Loa Loa (eye worm) hypothetical protein 0.0022 0.0014 0.0095
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.0165 0.0614
Brugia malayi Pre-SET motif family protein 0.0033 0.0049 0.0068
Schistosoma mansoni autophagin-1 (C54 family) 0.0067 0.0156 0.1388
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0029 0.0038 0.0336
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0019 0.0005 0.002
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.016 0.0442 0.1569
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0022 0.0014 0.0126
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0047 0.0093 0.0345
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0052 0.0109 0.0151
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0018 0.0005 0.0016
Giardia lamblia Histone acetyltransferase GCN5 0.0043 0.0081 0.028
Mycobacterium ulcerans aldehyde dehydrogenase 0.0206 0.0585 1
Onchocerca volvulus 0.0061 0.0135 0.0131
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0005 0.002
Mycobacterium ulcerans lipase LipD 0.0041 0.0075 0.12
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0022 0.0014 0.002
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0019 0.0005 0.002
Leishmania major cathepsin L-like protease 0.0018 0.0005 0.0017
Onchocerca volvulus 0.0022 0.0014 0.001
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0036 0.006 0.079
Brugia malayi Cathepsin L-like precursor 0.0018 0.0005 0.0006
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0022 0.0014 0.0126
Mycobacterium ulcerans aldehyde dehydrogenase 0.0206 0.0585 1
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0019 0.0005 0.002
Loa Loa (eye worm) hypothetical protein 0.0035 0.0056 0.0373
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0052 0.0109 0.0731
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0019 0.0005 0.002
Leishmania major cathepsin L-like protease 0.007 0.0165 0.0614
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0041 0.0075 0.0983
Schistosoma mansoni lamin 0.0061 0.0135 0.1199
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0019 0.0005 0.5
Brugia malayi MH2 domain containing protein 0.0019 0.0005 0.0007
Schistosoma mansoni cathepsin F (C01 family) 0.0018 0.0005 0.004
Schistosoma mansoni cercarial elastase (S01 family) 0.0022 0.0014 0.0126
Schistosoma mansoni hypothetical protein 0.0022 0.0014 0.0126
Echinococcus multilocularis musashi 0.0061 0.0135 0.0479
Mycobacterium leprae conserved hypothetical protein 0.0041 0.0075 0.0471
Leishmania major hypothetical protein, conserved 0.0041 0.0075 0.0278
Loa Loa (eye worm) MH2 domain-containing protein 0.0273 0.0794 0.5302
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0111 0.029 0.04
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0005 0.002
Brugia malayi beta-lactamase family protein 0.0041 0.0075 0.0103
Trichomonas vaginalis esterase, putative 0.0041 0.0075 0.0937
Schistosoma mansoni hypothetical protein 0.0035 0.0056 0.0495
Plasmodium falciparum glutathione reductase 0.0019 0.0005 0.002
Treponema pallidum NADH oxidase 0.0019 0.0005 0.5
Echinococcus granulosus histone acetyltransferase KAT2B 0.0047 0.0093 0.0825
Mycobacterium ulcerans aldehyde dehydrogenase 0.0206 0.0585 1
Schistosoma mansoni transcription factor LCR-F1 0.0082 0.0202 0.1796
Brugia malayi Trypsin-like protease protein 5 0.0022 0.0014 0.002
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.0165 0.0614
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0049 0.0437
Brugia malayi Cathepsin L-like precursor 0.0018 0.0005 0.0006
Leishmania major cathepsin L-like protease 0.0018 0.0005 0.0017
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0019 0.0005 0.002
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0073 0.0273
Onchocerca volvulus 0.0022 0.0014 0.001
Trypanosoma brucei hypothetical protein, conserved 0.0041 0.0075 0.0278
Loa Loa (eye worm) hypothetical protein 0.0105 0.0274 0.1827
Loa Loa (eye worm) glutathione reductase 0.0054 0.0115 0.0768
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0035 0.0056 0.0198
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0019 0.0005 0.0048
Loa Loa (eye worm) hypothetical protein 0.0085 0.0212 0.1417
Trichomonas vaginalis set domain proteins, putative 0.0261 0.0757 1
Loa Loa (eye worm) beta-lactamase 0.0041 0.0075 0.0501
Loa Loa (eye worm) hypothetical protein 0.0022 0.0014 0.0095
Echinococcus granulosus lamin 0.0061 0.0135 0.1199
Echinococcus granulosus glycoprotein Antigen 5 0.0022 0.0014 0.0126
Plasmodium vivax telomerase reverse transcriptase, putative 0.0886 0.2693 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0041 0.0075 0.0983
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0075 0.0665
Trypanosoma cruzi PAB1-binding protein , putative 0.0085 0.0212 0.0788
Loa Loa (eye worm) hypothetical protein 0.0059 0.0132 0.0879
Echinococcus multilocularis thioredoxin glutathione reductase 0.0054 0.0115 0.0408
Entamoeba histolytica peptidase, C54 family 0.0026 0.0029 0.123
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.0109 0.0972
Brugia malayi hypothetical protein 0.0022 0.0014 0.002
Brugia malayi Trypsin family protein 0.0022 0.0014 0.002
Schistosoma mansoni cercarial elastase (S01 family) 0.0022 0.0014 0.0126
Trypanosoma brucei telomerase reverse transcriptase 0.0886 0.2693 1
Trypanosoma cruzi major cysteine proteinase, putative 0.0055 0.0119 0.044
Leishmania major cysteine peptidase A (CPA) 0.0018 0.0005 0.0017
Entamoeba histolytica peptidase, C54 family 0.0067 0.0156 0.7678
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0886 0.2693 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0073 0.0273
Trichomonas vaginalis inositol monophosphatase, putative 0.0041 0.0073 0.0917
Schistosoma mansoni smad1 5 8 and 0.0019 0.0005 0.0044
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0022 0.0014 0.0126
Mycobacterium tuberculosis Probable esterase LipL 0.0041 0.0075 0.0983
Echinococcus multilocularis GPCR, family 2 0.0035 0.0056 0.0198
Mycobacterium tuberculosis Probable lipase LipD 0.0041 0.0075 0.0983
Brugia malayi MH2 domain containing protein 0.0019 0.0005 0.0007
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0038 0.0066 0.0586
Leishmania major hypothetical protein, conserved 0.0085 0.0212 0.0788
Loa Loa (eye worm) transcription factor SMAD2 0.0273 0.0794 0.5302
Mycobacterium tuberculosis Probable lipase LipE 0.0041 0.0075 0.0983
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0075 0.0665
Schistosoma mansoni cathepsin F (C01 family) 0.0018 0.0005 0.004
Echinococcus granulosus inositol monophosphatase 1 0.0041 0.0073 0.0652
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0038 0.0066 0.0234
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0019 0.0005 0.0019
Plasmodium vivax SET domain protein, putative 0.0033 0.0049 0.0183
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0054 0.0115 0.1507
Trypanosoma brucei PAB1-binding protein , putative 0.0085 0.0212 0.0788
Loa Loa (eye worm) hypothetical protein 0.0022 0.0014 0.0095
Schistosoma mansoni smad 0.0019 0.0005 0.0044
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0047 0.0093 0.0345
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0123 0.033 0.4322
Plasmodium falciparum cysteine proteinase falcipain 3 0.0018 0.0005 0.0017
Trypanosoma cruzi cysteine peptidase, putative 0.007 0.0165 0.0614
Schistosoma mansoni hypothetical protein 0.0035 0.0056 0.0495
Entamoeba histolytica hypothetical protein 0.0082 0.0202 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0073 0.0273
Leishmania major cathepsin L-like protease 0.007 0.0165 0.0614
Schistosoma mansoni cercarial elastase (S01 family) 0.0022 0.0014 0.0126
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0019 0.0005 0.002
Brugia malayi glutathione reductase 0.0054 0.0115 0.0158
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0206 0.0585 0.7671
Loa Loa (eye worm) ctsf protein 0.0018 0.0005 0.003
Plasmodium falciparum telomerase reverse transcriptase 0.0886 0.2693 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0005 0.002
Onchocerca volvulus 0.0022 0.0014 0.001
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0019 0.0005 0.0048
Loa Loa (eye worm) hypothetical protein 0.0076 0.0182 0.1214
Trichomonas vaginalis Clan CA, family C54, ATG4-like cysteine peptidase 0.0067 0.0156 0.202
Schistosoma mansoni cercarial elastase (S01 family) 0.0022 0.0014 0.0126
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0022 0.0014 0.0126
Brugia malayi Phospholipase A2 family protein 0.0105 0.0274 0.0377
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0075 0.0937
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0123 0.033 0.4322
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.0049 0.0183
Onchocerca volvulus 0.0261 0.0757 0.0752
Trypanosoma cruzi cysteine peptidase, putative 0.007 0.0165 0.0614
Mycobacterium ulcerans beta-lactamase 0.0041 0.0075 0.12
Echinococcus multilocularis Mastin 0.0022 0.0014 0.005
Entamoeba histolytica acetyltransferase, GNAT family 0.0043 0.0081 0.3856
Loa Loa (eye worm) hypothetical protein 0.05 0.1497 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.0165 0.0614
Mycobacterium ulcerans hypothetical protein 0.0022 0.0014 0.0152
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0035 0.0056 0.0495
Mycobacterium tuberculosis Conserved protein 0.0041 0.0075 0.0983
Entamoeba histolytica hypothetical protein 0.0082 0.0202 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0041 0.0075 0.0266
Schistosoma mansoni inositol monophosphatase 0.0041 0.0073 0.0652
Schistosoma mansoni smad1 5 8 and 0.0019 0.0005 0.0044
Leishmania major AUT2/APG4/ATG4 cysteine peptidase, putative 0.0067 0.0156 0.0581
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0022 0.0014 0.0126
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0019 0.0005 0.002
Brugia malayi hypothetical protein 0.0082 0.0202 0.0279
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0041 0.0075 0.12
Loa Loa (eye worm) hypothetical protein 0.0022 0.0014 0.0095
Trypanosoma cruzi AUT2/APG4/ATG4 cysteine peptidase, putative 0.0067 0.0156 0.0581
Toxoplasma gondii NADPH-glutathione reductase 0.0019 0.0005 0.002
Entamoeba histolytica peptidase, C54 family 0.0026 0.0029 0.123
Brugia malayi hypothetical protein 0.0055 0.0118 0.0163
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0022 0.0014 0.005
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.0109 0.0388
Schistosoma mansoni hypothetical protein 0.0035 0.0056 0.0495
Brugia malayi Peptidase family C54 containing protein 0.0067 0.0156 0.0216
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0041 0.0075 0.0983
Schistosoma mansoni hypothetical protein 0.0381 0.1127 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.0109 0.0972
Echinococcus granulosus smad 0.0019 0.0005 0.0044
Plasmodium falciparum ataxin-2 like protein, putative 0.0085 0.0212 0.0788
Loa Loa (eye worm) hypothetical protein 0.0061 0.0135 0.0902
Toxoplasma gondii RNA-directed DNA polymerase 0.0886 0.2693 1
Leishmania major cathepsin L-like protease 0.0018 0.0005 0.0017
Loa Loa (eye worm) hypothetical protein 0.0028 0.0034 0.023
Loa Loa (eye worm) acetyltransferase 0.016 0.0442 0.2956
Echinococcus multilocularis enteropeptidase 0.0022 0.0014 0.005
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.016 0.0442 0.3927
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0075 0.0278
Trichomonas vaginalis Clan CA, family C54, ATG4-like cysteine peptidase 0.0067 0.0156 0.202
Trypanosoma cruzi cysteine peptidase, putative 0.007 0.0165 0.0614
Echinococcus multilocularis mothers against decapentaplegic 5 0.0019 0.0005 0.0018
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.0165 0.0614
Onchocerca volvulus 0.0033 0.0049 0.0045
Trypanosoma cruzi PAB1-binding protein , putative 0.0085 0.0212 0.0788
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0075 0.0937
Schistosoma mansoni hypothetical protein 0.0038 0.0066 0.0586
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0123 0.033 0.8633
Brugia malayi Cathepsin L-like precursor 0.0018 0.0005 0.0006
Echinococcus multilocularis inositol monophosphatase 1 0.0041 0.0073 0.0261
Loa Loa (eye worm) cysteine protease 0.0018 0.0005 0.003
Mycobacterium tuberculosis Probable hydrolase 0.0041 0.0075 0.0983
Echinococcus granulosus GPCR family 2 0.0035 0.0056 0.0495
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0927 0.2821 1
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0022 0.0014 0.0126
Schistosoma mansoni smad1 5 8 and 0.0019 0.0005 0.0044
Loa Loa (eye worm) hypothetical protein 0.0022 0.0014 0.0095
Mycobacterium leprae Probable lipase LipE 0.0041 0.0075 0.0471
Brugia malayi Telomerase reverse transcriptase 0.2358 0.7254 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.0165 0.0614
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0082 0.0202 0.0717
Toxoplasma gondii thioredoxin reductase 0.0054 0.0115 0.0427
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0049 0.0175
Schistosoma mansoni cercarial elastase (S01 family) 0.0022 0.0014 0.0126
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0035 0.0056 0.0198
Trypanosoma cruzi AUT2/APG4/ATG4 cysteine peptidase, putative 0.0026 0.0029 0.0107
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0019 0.0005 0.0044
Plasmodium falciparum glutathione reductase 0.0054 0.0115 0.0427
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0047 0.0093 0.1176
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0061 0.0135 0.0902
Trypanosoma brucei trypanothione reductase 0.0054 0.0115 0.0427
Trypanosoma brucei cysteine peptidase, Clan CA, family C54, putative 0.0026 0.0029 0.0107
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0018 0.0005 0.0017
Plasmodium vivax vivapain-2 0.0018 0.0005 0.0017
Echinococcus multilocularis lamin 0.0061 0.0135 0.0479
Brugia malayi Papain family cysteine protease containing protein 0.0018 0.0005 0.0006
Brugia malayi MH2 domain containing protein 0.0273 0.0794 0.1094
Brugia malayi Thioredoxin reductase 0.0054 0.0115 0.0158
Loa Loa (eye worm) thioredoxin reductase 0.0054 0.0115 0.0768
Brugia malayi Inositol-1 0.0041 0.0073 0.0101
Brugia malayi MH1 domain containing protein 0.0019 0.0005 0.0007
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0041 0.0073 0.0917
Trypanosoma cruzi cruzipain precursor, putative 0.007 0.0165 0.0614
Brugia malayi Cathepsin L-like precursor 0.0018 0.0005 0.0006
Onchocerca volvulus Phospholipase A2 homolog 0.0105 0.0274 0.0269
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0041 0.0073 0.1174
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0019 0.0005 0.002
Toxoplasma gondii aldehyde dehydrogenase 0.0206 0.0585 0.2173
Brugia malayi Trypsin family protein 0.0022 0.0014 0.002
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0019 0.0005 0.002
Onchocerca volvulus 0.0022 0.0014 0.001
Brugia malayi Latrophilin receptor protein 2 0.0035 0.0056 0.0077
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0082 0.0202 0.1796
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0032 0.0048 0.032
Plasmodium vivax hypothetical protein, conserved 0.0041 0.0075 0.0278
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0019 0.0005 0.002
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0206 0.0585 0.5194
Mycobacterium tuberculosis Conserved protein 0.0041 0.0075 0.0983
Schistosoma mansoni cercarial elastase (S01 family) 0.0022 0.0014 0.0126
Toxoplasma gondii autophagy-related cysteine peptidase atg4, putative 0.0026 0.0029 0.0107
Echinococcus multilocularis cysteine protease 0.0018 0.0005 0.0016
Echinococcus granulosus lamin dm0 0.0061 0.0135 0.1199
Plasmodium falciparum thioredoxin reductase 0.0019 0.0005 0.002
Echinococcus multilocularis transmembrane protease serine 3 0.0022 0.0014 0.005
Echinococcus granulosus intermediate filament protein 0.0061 0.0135 0.1199
Trypanosoma cruzi trypanothione reductase, putative 0.0019 0.0005 0.002
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0075 0.0937
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0035 0.0056 0.0495
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0019 0.0005 0.0018
Trichomonas vaginalis Clan CA, family C54, ATG4-like cysteine peptidase 0.0067 0.0156 0.202
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0041 0.0073 1
Brugia malayi latrophilin 2 splice variant baaae 0.0076 0.0182 0.025
Entamoeba histolytica hypothetical protein 0.0082 0.0202 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0123 0.033 0.4322
Echinococcus multilocularis cysteine protease atg4b 0.0067 0.0156 0.0554
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0075 0.0278
Plasmodium falciparum cysteine protease ATG4, putative 0.0026 0.0029 0.0107
Plasmodium vivax ataxin-2 like protein, putative 0.0085 0.0212 0.0788
Schistosoma mansoni hypothetical protein 0.0082 0.0202 0.1796
Trichomonas vaginalis Clan CA, family C54, ATG4-like cysteine peptidase 0.0067 0.0156 0.202
Schistosoma mansoni inositol monophosphatase 0.0041 0.0073 0.0652
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.0165 0.0614
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0137 0.0372 0.4882
Echinococcus granulosus beta LACTamase domain containing family member 0.0041 0.0075 0.0665
Echinococcus granulosus histone acetyltransferase KAT2B 0.0155 0.0429 0.3804
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0049 0.0437
Loa Loa (eye worm) hypothetical protein 0.0111 0.029 0.1939
Loa Loa (eye worm) hypothetical protein 0.0029 0.0038 0.0253
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0041 0.0075 0.0501
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0075 0.0937
Echinococcus granulosus transmembrane protease serine 3 0.0022 0.0014 0.0126
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.0165 0.0614
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0047 0.0093 0.0345
Plasmodium falciparum histone acetyltransferase GCN5 0.0043 0.0081 0.03
Brugia malayi Smad1 0.0019 0.0005 0.0007
Echinococcus granulosus cysteine protease atg4b 0.0067 0.0156 0.1388
Brugia malayi hypothetical protein 0.0085 0.0212 0.0292
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0111 0.029 0.1939
Schistosoma mansoni hypothetical protein 0.0381 0.1127 1
Schistosoma mansoni aldehyde dehydrogenase 0.0206 0.0585 0.5194
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0041 0.0075 0.0103
Toxoplasma gondii cathepsin CPL 0.0018 0.0005 0.0017
Mycobacterium ulcerans esterase/lipase LipP 0.0041 0.0075 0.12
Onchocerca volvulus 0.0061 0.0135 0.0131
Schistosoma mansoni intermediate filament proteins 0.0061 0.0135 0.1199
Onchocerca volvulus 0.0022 0.0014 0.001
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0041 0.0073 0.0917
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0049 0.0437
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0018 0.0005 0.0017
Schistosoma mansoni family C54 unassigned peptidase (C54 family) 0.0067 0.0156 0.1388
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0005 0.002
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0137 0.0372 0.4882

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.595 uM PUBCHEM_BIOASSAY: SAR analysis of Antagonists of the Kappa Opioid Receptor (KOR) using an Image-Based Assay - Set 4. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1777, AID1785] ChEMBL. No reference
IC50 (functional) = 4.02 uM PUBCHEM_BIOASSAY: SAR analysis of small molecule antagonists of the kappa opioid receptor via a luminescent beta-arrestin assay - Set 4. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1777, AID1778, AID1785, AID1786, AID1966, AID2133, AID2136, AID2285] ChEMBL. No reference
IC50 (functional) > 32 uM PUBCHEM_BIOASSAY: SAR Analysis of Antagonists of the MOR Receptor using an Image-Based Assay - Set 3. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1777, AID1785, AID1786, AID1966, AID2133, AID2136, AID2284, AID2285, AID2420] ChEMBL. No reference
IC50 (functional) > 32 uM PUBCHEM_BIOASSAY: SAR Analysis of Antagonists of the DOR Receptor using an Image-Based Assay - Set 3. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1777, AID1785] ChEMBL. No reference

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

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.