Detailed information for compound 939359

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 667.877 | Formula: C41H53N3O5
  • H donors: 4 H acceptors: 4 LogP: 7.69 Rotable bonds: 21
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCOC(C(=O)N[C@H]([C@H](CC(=O)NC[C@H](CC)C)O)CC(C)C)NC(=O)C(Cc1cccc2c1cccc2)Cc1cccc2c1cccc2
  • InChi: 1S/C41H53N3O5/c1-6-28(5)26-42-38(46)25-37(45)36(22-27(3)4)43-40(48)41(49-7-2)44-39(47)33(23-31-18-12-16-29-14-8-10-20-34(29)31)24-32-19-13-17-30-15-9-11-21-35(30)32/h8-21,27-28,33,36-37,41,45H,6-7,22-26H2,1-5H3,(H,42,46)(H,43,48)(H,44,47)/t28-,36-,37-,41?/m0/s1
  • InChiKey: XZMYIQWEYMSKLQ-SFZJUSIKSA-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 renin Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium berghei plasmepsin VI Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium falciparum plasmepsin VI Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium yoelii hypothetical protein Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium knowlesi plasmepsin IV, putative Get druggable targets OG5_126885 All targets in OG5_126885
Candida albicans vacuolar aspartic proteinase precursor similar to S. cerevisiae PEP4 (YPL154C) Get druggable targets OG5_126885 All targets in OG5_126885
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126885 All targets in OG5_126885
Babesia bovis eukaryotic aspartyl protease family protein Get druggable targets OG5_126885 All targets in OG5_126885
Schistosoma japonicum Cathepsin D precursor, putative Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium vivax aspartyl proteinase, putative Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium yoelii plasmepsin Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium berghei plasmepsin IV Get druggable targets OG5_126885 All targets in OG5_126885
Toxoplasma gondii aspartyl protease ASP1 Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium knowlesi aspartyl protease, putative Get druggable targets OG5_126885 All targets in OG5_126885
Cryptosporidium parvum membrane bound aspartyl proteinase with a signal peptide plus transmembrane domain Get druggable targets OG5_126885 All targets in OG5_126885
Theileria parva cathepsin E, putative Get druggable targets OG5_126885 All targets in OG5_126885
Schistosoma mansoni cathepsin D (A01 family) Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium falciparum plasmepsin II Get druggable targets OG5_126885 All targets in OG5_126885
Loa Loa (eye worm) aspartic protease BmAsp-2 Get druggable targets OG5_126885 All targets in OG5_126885
Theileria parva pepsinogen, putative Get druggable targets OG5_126885 All targets in OG5_126885
Toxoplasma gondii aspartyl proteinase (eimepsin), putative Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium falciparum plasmepsin IV Get druggable targets OG5_126885 All targets in OG5_126885
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium vivax plasmepsin IV, putative Get druggable targets OG5_126885 All targets in OG5_126885
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) Get druggable targets OG5_126885 All targets in OG5_126885
Neospora caninum Pepsinogen A1, related Get druggable targets OG5_126885 All targets in OG5_126885
Schistosoma mansoni cathepsin D (A01 family) Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium yoelii hypothetical protein Get druggable targets OG5_126885 All targets in OG5_126885
Schistosoma japonicum ko:K01379 cathepsin D [EC3.4.23.5], putative Get druggable targets OG5_126885 All targets in OG5_126885
Cryptosporidium hominis aspartyl protease precursor Get druggable targets OG5_126885 All targets in OG5_126885
Echinococcus granulosus cathepsin d lysosomal aspartyl protease Get druggable targets OG5_126885 All targets in OG5_126885
Neospora caninum Renin, related Get druggable targets OG5_126885 All targets in OG5_126885
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase Get druggable targets OG5_126885 All targets in OG5_126885
Candida albicans vacuolar aspartic proteinase precursor similar to S. cerevisiae PEP4 (YPL154C) Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium falciparum plasmepsin I Get druggable targets OG5_126885 All targets in OG5_126885
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum plasmepsin X renin 406 aa 352 aa 26.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus thyroid hormone receptor alpha 0.0052 0.035 0.1696
Mycobacterium ulcerans hypothetical protein 0.1329 1 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.0052 0.035 0.0339
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0021 0.0115 0.0114
Loa Loa (eye worm) hypothetical protein 0.0111 0.0793 0.0783
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0034 0.021 0.0993
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0013 0.0052 0.0007
Plasmodium falciparum plasmepsin VIII, putative 0.0014 0.006 0.004
Schistosoma mansoni retinoic acid receptor RXR 0.0111 0.0793 0.395
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.004 0.0256 0.1273
Trichomonas vaginalis conserved hypothetical protein 0.0272 0.2008 0.1999
Loa Loa (eye worm) cytochrome P450 family protein 0.0022 0.012 0.0109
Schistosoma mansoni hypothetical protein 0.0192 0.1403 0.6987
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.004 0.0256 0.0283
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0111 0.0793 0.0783
Loa Loa (eye worm) hypothetical protein 0.001 0.003 0.0018
Schistosoma mansoni voltage-gated potassium channel 0.0042 0.0269 0.1339
Brugia malayi Carboxylesterase family protein 0.004 0.0256 0.0244
Loa Loa (eye worm) hypothetical protein 0.0014 0.0062 0.005
Loa Loa (eye worm) hypothetical protein 0.003 0.0185 0.0174
Loa Loa (eye worm) hypothetical protein 0.0236 0.1736 0.1726
Onchocerca volvulus 0.003 0.0185 0.0642
Trichomonas vaginalis DNA helicase recq, putative 0.0024 0.0137 0.0126
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0111 0.0793 0.0783
Toxoplasma gondii aspartyl protease 0.0014 0.006 0.003
Echinococcus multilocularis synaptic glycoprotein sc2 0.0272 0.2008 1
Echinococcus multilocularis musashi 0.003 0.0185 0.0869
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0235 0.1734 0.1724
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0008 0.0012 0.0058
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0059 0.04 0.0389
Loa Loa (eye worm) hypothetical protein 0.0059 0.0398 0.0387
Echinococcus multilocularis para nitrobenzyl esterase 0.004 0.0256 0.1222
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0078 0.0067
Schistosoma mansoni nuclear receptor nhr-48 0.0052 0.035 0.1744
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0016 0.0078 0.0024
Brugia malayi photoreceptor-specific nuclear receptor 0.0111 0.0793 0.0783
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0111 0.0793 0.0783
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0059 0.0398 0.198
Echinococcus multilocularis voltage gated potassium channel 0.0011 0.0038 0.0132
Loa Loa (eye worm) cytochrome P450 family protein 0.0055 0.0372 0.036
Schistosoma mansoni nuclear hormone receptor 0.0052 0.035 0.1744
Loa Loa (eye worm) hypothetical protein 0.0059 0.0398 0.0387
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0014 0.006 0.0299
Echinococcus granulosus lamin 0.003 0.0185 0.0869
Loa Loa (eye worm) steroid hormone receptor 0.0111 0.0793 0.0783
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0111 0.0793 0.3915
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0111 0.0793 0.395
Onchocerca volvulus 0.004 0.0256 0.1004
Plasmodium vivax 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0272 0.2008 0.2623
Echinococcus granulosus nuclear receptor nhr 48 0.0052 0.035 0.1696
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0014 0.006 0.0299
Schistosoma mansoni zinc finger protein 0.0052 0.035 0.1744
Echinococcus multilocularis thyroid hormone receptor alpha 0.0111 0.0793 0.3915
Loa Loa (eye worm) hypothetical protein 0.0272 0.2008 0.1999
Trypanosoma brucei cytochrome P450, putative 0.0022 0.012 0.0075
Onchocerca volvulus 0.0268 0.1979 0.9852
Loa Loa (eye worm) hypothetical protein 0.0059 0.04 0.0389
Plasmodium vivax plasmepsin IV, putative 0.0059 0.04 0.0458
Echinococcus granulosus neuroligin 0.004 0.0256 0.1222
Echinococcus granulosus intermediate filament protein 0.003 0.0185 0.0869
Onchocerca volvulus 0.0052 0.035 0.149
Giardia lamblia Synaptic glycoprotein SC2 0.0272 0.2008 1
Echinococcus granulosus voltage gated potassium channel 0.0011 0.0038 0.0132
Loa Loa (eye worm) hypothetical protein 0.1329 1 1
Brugia malayi Eukaryotic aspartyl protease family protein 0.0014 0.006 0.0049
Onchocerca volvulus 0.004 0.0256 0.1004
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0236 0.1736 0.8644
Loa Loa (eye worm) hypothetical protein 0.0111 0.0793 0.0783
Plasmodium falciparum plasmepsin III 0.0014 0.006 0.004
Trichomonas vaginalis spcc417.12 protein, putative 0.004 0.0256 0.0244
Echinococcus granulosus ATP dependent DNA helicase Q1 0.001 0.003 0.0092
Toxoplasma gondii eukaryotic aspartyl protease superfamily protein 0.0014 0.006 0.003
Plasmodium vivax aspartyl proteinase, putative 0.0059 0.04 0.0458
Loa Loa (eye worm) nuclear receptor NHR-67 0.0052 0.035 0.0339
Schistosoma mansoni thyroid hormone receptor 0.0111 0.0793 0.395
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0058 0.039 0.0346
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0996 0.7486 0.7475
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0111 0.0793 0.3764
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0111 0.0793 0.0783
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0022 0.012 0.0075
Loa Loa (eye worm) CYP4Cod1 0.0022 0.012 0.0109
Schistosoma mansoni nuclear receptor 0.0052 0.035 0.1744
Onchocerca volvulus 0.004 0.0256 0.1004
Leishmania major hypothetical protein, conserved 0.0025 0.0147 0.0102
Brugia malayi Steroid receptor seven-up type 2 0.0111 0.0793 0.0783
Plasmodium falciparum 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0272 0.2008 0.2653
Loa Loa (eye worm) hypothetical protein 0.0052 0.035 0.0339
Loa Loa (eye worm) nuclear hormone receptor 0.0052 0.035 0.0339
Echinococcus granulosus carboxylesterase 5A 0.0236 0.1736 0.8636
Trichomonas vaginalis dihydroflavonal-4-reductase, putative 0.0025 0.0147 0.0136
Loa Loa (eye worm) carboxylesterase 0.004 0.0256 0.0244
Brugia malayi Synaptic glycoprotein SC2 0.0272 0.2008 0.1999
Trichomonas vaginalis hydroxysteroid dehydrogenase, putative 0.0025 0.0147 0.0136
Trypanosoma brucei NAD(P)-dependent steroid dehydrogenase protein, putative 0.0025 0.0147 0.0102
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0059 0.04 0.1994
Echinococcus multilocularis mitogen activated protein kinase 3 0.0058 0.039 0.1896
Entamoeba histolytica fatty acid elongase, putative 0.0129 0.0933 0.0885
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.1329 1 1
Echinococcus multilocularis acetylcholinesterase 0.0236 0.1736 0.8636
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0014 0.006 0.0299
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0013 0.0052 0.0007
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0052 0.035 0.149
Brugia malayi Pepsin A precursor 0.0014 0.006 0.0049
Loa Loa (eye worm) hypothetical protein 0.0059 0.0398 0.0387
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0111 0.0793 0.0783
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.0185 0.0174
Loa Loa (eye worm) hypothetical protein 0.0052 0.035 0.0339
Trichomonas vaginalis conserved hypothetical protein 0.0272 0.2008 0.1999
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0059 0.04 0.1948
Loa Loa (eye worm) hypothetical protein 0.0111 0.0793 0.0783
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0008 0.0012 0.0058
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0058 0.039 0.0346
Schistosoma mansoni voltage-gated potassium channel 0.0042 0.0269 0.1339
Trichomonas vaginalis CMGC family protein kinase 0.0058 0.039 0.0379
Echinococcus granulosus synaptic glycoprotein sc2 0.0272 0.2008 1
Brugia malayi aspartic protease BmAsp-2, identical 0.0014 0.006 0.0049
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.021 0.1045
Onchocerca volvulus 0.0052 0.035 0.149
Mycobacterium ulcerans carboxylesterase, LipT 0.004 0.0256 0.0211
Brugia malayi Carboxylesterase family protein 0.004 0.0256 0.0244
Brugia malayi Cytochrome P450 family protein 0.0022 0.012 0.0109
Brugia malayi Pre-SET motif family protein 0.0235 0.1734 0.1724
Plasmodium falciparum plasmepsin VII 0.0014 0.006 0.004
Entamoeba histolytica fatty acid elongase, putative 0.0129 0.0933 0.0885
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0111 0.0793 0.0783
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.001 0.003 0.0092
Schistosoma mansoni DNA helicase recq5 0.001 0.003 0.0149
Brugia malayi Nuclear hormone receptor-like 1 0.0059 0.0398 0.0387
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0038 0.0242 0.1157
Loa Loa (eye worm) hypothetical protein 0.0111 0.0793 0.0783
Schistosoma mansoni DNA helicase recq1 0.001 0.003 0.0149
Echinococcus granulosus Nuclear hormone receptor HR96 0.0052 0.035 0.1696
Loa Loa (eye worm) hypothetical protein 0.004 0.0256 0.0244
Loa Loa (eye worm) hypothetical protein 0.0025 0.0147 0.0136
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0052 0.035 0.1696
Loa Loa (eye worm) hypothetical protein 0.0052 0.035 0.0339
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0014 0.006 0.0299
Loa Loa (eye worm) hypothetical protein 0.0014 0.0062 0.005
Loa Loa (eye worm) hypothetical protein 0.001 0.003 0.0018
Mycobacterium tuberculosis Carboxylesterase LipT 0.004 0.0256 0.0283
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0272 0.2008 0.1972
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0058 0.039 0.0379
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0111 0.0793 0.3915
Schistosoma mansoni RAR-like nuclear receptor 0.0111 0.0793 0.395
Brugia malayi ecdysteroid receptor 0.0111 0.0793 0.0783
Entamoeba histolytica 3-oxo-5-alpha-steroid 4-dehydrogenase domain-containing protein 0.0272 0.2008 0.1966
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0011 0.0038 0.0132
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.0996 0.7486 0.7475
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0052 0.035 0.1696
Loa Loa (eye worm) hypothetical protein 0.0033 0.0204 0.0193
Loa Loa (eye worm) hypothetical protein 0.003 0.0181 0.017
Brugia malayi nuclear hormone receptor 0.0052 0.035 0.0339
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.1329 1 1
Echinococcus granulosus FTZ F1 alpha 0.0111 0.0793 0.3915
Loa Loa (eye worm) hypothetical protein 0.0052 0.035 0.0339
Loa Loa (eye worm) hypothetical protein 0.0052 0.035 0.0339
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0014 0.006 0.0299
Leishmania major cytochrome p450-like protein 0.0022 0.012 0.0075
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0111 0.0793 0.0783
Schistosoma mansoni BC026374 protein (S09 family) 0.004 0.0256 0.1273
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0008 0.0012 0.0058
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0052 0.035 0.1744
Echinococcus granulosus histone lysine methyltransferase setb 0.0034 0.021 0.0993
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0111 0.0793 0.395
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0058 0.039 0.0346
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.004 0.0256 0.1222
Onchocerca volvulus 0.0111 0.0793 0.3764
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.1329 1 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0052 0.035 0.149
Entamoeba histolytica fatty acid elongase, putative 0.0129 0.0933 0.0885
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0111 0.0793 0.3915
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0058 0.039 0.0346
Echinococcus multilocularis carboxylesterase 5A 0.0236 0.1736 0.8636
Brugia malayi nuclear hormone receptor family member odr-7 0.0052 0.035 0.0339
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.0996 0.7486 1
Brugia malayi Pre-SET motif family protein 0.0034 0.021 0.0198
Trypanosoma brucei protein kinase, putative 0.0058 0.039 0.0346
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.021 0.1045
Plasmodium falciparum plasmepsin X 0.0014 0.006 0.004
Brugia malayi Nuclear hormone receptor-like 1 0.0059 0.0398 0.0387
Entamoeba histolytica fatty acid elongase, putative 0.0129 0.0933 0.0885
Giardia lamblia Kinase, CMGC MAPK 0.0058 0.039 0.1821
Schistosoma mansoni synaptic glycoprotein sc2 related 0.0272 0.2008 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.003 0.000000000034393
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative 0.1329 1 1
Entamoeba histolytica trans-2,3-enoyl-CoA reductase, putative 0.0272 0.2008 0.1966
Brugia malayi hypothetical protein 0.0052 0.035 0.0339
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0059 0.0398 0.198
Toxoplasma gondii cytochrome p450 superfamily protein 0.0012 0.0045 0.0016
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0014 0.006 0.0049
Brugia malayi hypothetical protein 0.0059 0.0398 0.0387
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.001 0.003 0.0018
Loa Loa (eye worm) hypothetical protein 0.0059 0.0398 0.0387
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.004 0.0256 0.0283
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0011 0.0038 0.0132
Schistosoma mansoni voltage-gated potassium channel 0.0008 0.0012 0.0058
Schistosoma mansoni voltage-gated potassium channel 0.0011 0.0038 0.0189
Loa Loa (eye worm) hypothetical protein 0.004 0.0256 0.0244
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0111 0.0793 0.3915
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0111 0.0793 0.0783
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0111 0.0793 0.3915
Echinococcus multilocularis lamin 0.003 0.0185 0.0869
Mycobacterium leprae PROBABLE CHOLESTEROL DEHYDROGENASE 0.0025 0.0147 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0038 0.0242 0.0231
Echinococcus multilocularis 3 oxo 5 alpha steroid 4 dehydrogenase, C terminal 0.0272 0.2008 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0111 0.0793 0.0783
Echinococcus multilocularis FTZ F1 alpha 0.0111 0.0793 0.3915
Brugia malayi steroid hormone receptor 0.0111 0.0793 0.0783
Loa Loa (eye worm) hypothetical protein 0.004 0.0256 0.0244
Schistosoma mansoni neuroligin 3 (S09 family) 0.004 0.0256 0.1273
Echinococcus granulosus acetylcholinesterase 0.0236 0.1736 0.8636
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0111 0.0793 0.3915
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0111 0.0793 0.3915
Schistosoma mansoni thyroid hormone receptor 0.0111 0.0793 0.395
Schistosoma mansoni lamin 0.003 0.0185 0.0922
Onchocerca volvulus 0.004 0.0256 0.1004
Trypanosoma brucei nadh-ubiquinone oxidoreductase 39 kda subunit 0.0025 0.0147 0.0102
Loa Loa (eye worm) hypothetical protein 0.0272 0.2008 0.1999
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0272 0.2008 0.1999
Brugia malayi nuclear hormone receptor 0.0111 0.0793 0.0783
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0052 0.035 0.1696
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0111 0.0793 0.395
Plasmodium falciparum plasmepsin IX 0.0014 0.006 0.004
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0052 0.035 0.1696
Echinococcus granulosus geminin 0.0192 0.1403 0.6969
Echinococcus granulosus mitogen activated protein kinase 0.0058 0.039 0.1896
Trypanosoma cruzi cytochrome P450, putative 0.0022 0.012 0.0075
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0059 0.04 0.0372
Echinococcus multilocularis lamin dm0 0.003 0.0185 0.0869
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.1329 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0111 0.0793 0.0783
Plasmodium falciparum plasmepsin VI 0.0059 0.04 0.0497
Loa Loa (eye worm) hypothetical protein 0.0014 0.006 0.0049
Loa Loa (eye worm) ATP-dependent DNA helicase 0.001 0.003 0.0018
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0111 0.0793 0.395
Plasmodium falciparum plasmepsin I 0.0059 0.04 0.0497
Brugia malayi MAP kinase sur-1 0.0058 0.039 0.0379
Brugia malayi Carboxylesterase family protein 0.004 0.0256 0.0244
Brugia malayi aspartic protease BmAsp-1, identical 0.0014 0.006 0.0049
Echinococcus multilocularis mitogen activated protein kinase 0.0058 0.039 0.1896
Schistosoma mansoni serine/threonine protein kinase 0.0058 0.039 0.1943
Leishmania major 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein 0.1329 1 1
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0272 0.2008 0.1999
Schistosoma mansoni memapsin-2 (A01 family) 0.0014 0.006 0.0299
Brugia malayi Carboxylesterase family protein 0.004 0.0256 0.0244
Loa Loa (eye worm) hypothetical protein 0.004 0.0256 0.0244
Brugia malayi nuclear receptor RXR 0.0052 0.035 0.0339
Brugia malayi orphan nuclear receptor NR2E1 0.0052 0.035 0.0339
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0015 0.0066 0.0272
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0111 0.0793 0.0783
Schistosoma mansoni nuclear hormone receptor 0.0111 0.0793 0.395
Echinococcus multilocularis geminin 0.0192 0.1403 0.6969
Brugia malayi Nuclear hormone receptor E75 0.0052 0.035 0.0339
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0272 0.2008 0.1999
Brugia malayi Bloom's syndrome protein homolog 0.0024 0.0137 0.0126
Echinococcus multilocularis bloom syndrome protein 0.0024 0.0137 0.0628
Onchocerca volvulus Bile acid receptor homolog 0.0111 0.0793 0.3764
Echinococcus granulosus BC026374 protein S09 family 0.004 0.0256 0.1222
Trichomonas vaginalis CMGC family protein kinase 0.0058 0.039 0.0379
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0058 0.039 0.0346
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0034 0.021 0.018
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.001 0.003 0.0092
Trichomonas vaginalis DNA helicase recq, putative 0.0013 0.0052 0.0041
Loa Loa (eye worm) hypothetical protein 0.004 0.0256 0.0244
Brugia malayi nuclear receptor NHR-88 0.0052 0.035 0.0339
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.021 0.1045
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0008 0.0012 0.0058
Schistosoma mansoni steroid hormone receptor ad4bp 0.0111 0.0793 0.395
Mycobacterium tuberculosis 3-beta-hydroxysteroid dehydrogenase 0.0025 0.0147 0.0137
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.1329 1 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0059 0.0398 0.1934
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0059 0.0398 0.0387
Echinococcus granulosus lamin dm0 0.003 0.0185 0.0869
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.004 0.0256 0.0244
Schistosoma mansoni cytochrome P450 0.0012 0.0045 0.0226
Loa Loa (eye worm) hypothetical protein 0.0111 0.0793 0.0783
Trypanosoma cruzi hypothetical protein, conserved 0.0025 0.0147 0.0102
Loa Loa (eye worm) hypothetical protein 0.0111 0.0793 0.0783
Brugia malayi nuclear receptor NHR-67 0.0052 0.035 0.0339
Schistosoma mansoni hypothetical protein 0.0012 0.0045 0.0226
Brugia malayi Nuclear hormone receptor-like 1 0.0111 0.0793 0.0783
Loa Loa (eye worm) intermediate filament protein 0.003 0.0185 0.0174
Schistosoma mansoni coup transcription factor 0.0111 0.0793 0.395
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0052 0.035 0.1696
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0111 0.0793 0.0783
Loa Loa (eye worm) hypothetical protein 0.0052 0.035 0.0339
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0111 0.0793 0.3915
Schistosoma mansoni blooms syndrome DNA helicase 0.0019 0.0099 0.0491
Brugia malayi Carboxylesterase family protein 0.0236 0.1736 0.1726
Brugia malayi Carboxylesterase family protein 0.0236 0.1736 0.1726
Plasmodium falciparum plasmepsin IV 0.0059 0.04 0.0497
Echinococcus granulosus cytochrome P450 2K1 0.0012 0.0045 0.0169
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0111 0.0793 0.0783
Brugia malayi cytochrome P450 0.0012 0.0045 0.0034
Echinococcus granulosus family S9 non peptidase ue S09 family 0.004 0.0256 0.1222
Loa Loa (eye worm) hypothetical protein 0.0111 0.0793 0.0783
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.001 0.003 0.0018
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0111 0.0793 0.0783
Loa Loa (eye worm) hypothetical protein 0.0052 0.035 0.0339
Loa Loa (eye worm) hypothetical protein 0.0236 0.1736 0.1726
Entamoeba histolytica steroid 5-alpha reductase, putative 0.1329 1 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.035 0.0339
Brugia malayi Cytochrome P450 family protein 0.0012 0.0045 0.0034
Loa Loa (eye worm) cytochrome P450 0.0012 0.0045 0.0034
Trichomonas vaginalis DNA helicase recq1, putative 0.0024 0.0137 0.0126
Trypanosoma cruzi cytochrome P450, putative 0.0022 0.012 0.0075
Brugia malayi hypothetical protein 0.0014 0.006 0.0049
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0036 0.0224 0.0212
Trichomonas vaginalis dihydroflavonal-4-reductase, putative 0.0025 0.0147 0.0136
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0111 0.0793 0.0783
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0052 0.035 0.0339
Loa Loa (eye worm) cytochrome P450 family protein 0.0022 0.012 0.0109
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.0996 0.7486 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0014 0.006 0.0299
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0272 0.2008 0.1984
Brugia malayi Cytochrome P450 family protein 0.0022 0.012 0.0109
Schistosoma mansoni hypothetical protein 0.0192 0.1403 0.6987
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0058 0.039 0.0346
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0111 0.0793 0.3915
Loa Loa (eye worm) hypothetical protein 0.0052 0.035 0.0339
Echinococcus granulosus Nuclear hormone receptor HR96 0.0052 0.035 0.1696
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0034 0.021 0.1045
Onchocerca volvulus 0.004 0.0256 0.1004
Brugia malayi ecdysone receptor 0.0052 0.035 0.0339
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0014 0.006 0.0299
Brugia malayi hypothetical protein 0.0059 0.0398 0.0387
Schistosoma mansoni nuclear hormone receptor 0.0052 0.035 0.1744
Brugia malayi intermediate filament protein 0.003 0.0185 0.0174
Toxoplasma gondii aspartyl protease ASP3 0.0014 0.006 0.003
Trypanosoma brucei NAD(p)-dependent steroid dehydrogenase-like protein 0.0025 0.0147 0.0102
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0052 0.035 0.1696
Echinococcus granulosus 3 oxo 5 alpha steroid 4 dehydrogenase C terminal 0.0272 0.2008 1
Brugia malayi hypothetical protein 0.0014 0.006 0.0049
Trypanosoma cruzi hypothetical protein, conserved 0.0025 0.0147 0.0102
Brugia malayi cytoplasmic intermediate filament protein 0.0016 0.0078 0.0067
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0014 0.006 0.0299
Brugia malayi hypothetical protein 0.004 0.0256 0.0244
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0038 0.0242 0.1157
Onchocerca volvulus 0.0272 0.2008 1
Schistosoma mansoni cathepsin D (A01 family) 0.0174 0.1269 0.632
Onchocerca volvulus 0.003 0.0185 0.0642
Brugia malayi Cytochrome P450 family protein 0.0055 0.0372 0.036
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0996 0.7486 0.7475
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0013 0.0052 0.0007
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0111 0.0793 0.0783
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0272 0.2008 0.1999
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0008 0.0012 0.0058
Onchocerca volvulus Protein ultraspiracle homolog 0.0111 0.0793 0.3764
Loa Loa (eye worm) carboxylesterase 0.004 0.0256 0.0244
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0111 0.0793 0.395
Echinococcus granulosus para nitrobenzyl esterase 0.004 0.0256 0.1222
Schistosoma mansoni lamin 0.003 0.0185 0.0922
Loa Loa (eye worm) hypothetical protein 0.0025 0.0147 0.0136
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0111 0.0793 0.395
Echinococcus multilocularis nuclear receptor nhr 48 0.0052 0.035 0.1696
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.004 0.0256 0.1273
Brugia malayi hypothetical protein 0.0025 0.0147 0.0136
Entamoeba histolytica fatty acid elongase, putative 0.0129 0.0933 0.0885
Loa Loa (eye worm) hypothetical protein 0.0034 0.021 0.0198
Echinococcus multilocularis ecdysone induced protein 78C 0.0111 0.0793 0.3915
Loa Loa (eye worm) hypothetical protein 0.0052 0.035 0.0339
Echinococcus multilocularis acetylcholinesterase 0.0236 0.1736 0.8636
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0111 0.0793 0.0783
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0011 0.0038 0.0026
Loa Loa (eye worm) hypothetical protein 0.0052 0.035 0.0339
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0111 0.0793 0.0783
Loa Loa (eye worm) hypothetical protein 0.0019 0.01 0.0089
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0058 0.039 0.0346
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0111 0.0793 0.3915
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0059 0.04 0.1948
Onchocerca volvulus 0.0034 0.021 0.0769
Trypanosoma cruzi hypothetical protein, conserved 0.0025 0.0147 0.0102
Brugia malayi conserved hypotetical protein 0.0052 0.035 0.0339
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0016 0.0076 0.0047
Echinococcus multilocularis neuroligin 0.004 0.0256 0.1222
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0034 0.021 0.0993
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0052 0.035 0.1744
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0033 0.02 0.0946
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0059 0.04 0.0389
Echinococcus granulosus mitogen activated protein kinase 3 0.0058 0.039 0.1896
Plasmodium vivax polyprenol reductase, putative 0.0272 0.2008 0.2623
Loa Loa (eye worm) DR-78 0.0052 0.035 0.0339
Loa Loa (eye worm) RecQ helicase 0.0024 0.0137 0.0126
Leishmania major NAD(p)-dependent steroid dehydrogenase-like protein 0.0025 0.0147 0.0102
Plasmodium falciparum polyprenol reductase, putative 0.0272 0.2008 0.2653
Brugia malayi nuclear receptor NHR-88 0.0111 0.0793 0.0783
Plasmodium vivax SET domain protein, putative 0.0034 0.021 0.0202
Loa Loa (eye worm) aspartyl protease 6 0.0014 0.006 0.0049
Schistosoma mansoni intermediate filament proteins 0.003 0.0185 0.0922
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0111 0.0793 0.3915
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0015 0.0066 0.0272
Trichomonas vaginalis set domain proteins, putative 0.0268 0.1979 0.197
Schistosoma mansoni nuclear receptor 0.0052 0.035 0.1744
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0111 0.0793 0.3915
Trichomonas vaginalis dihydroflavonal-4-reductase, putative 0.0025 0.0147 0.0136
Loa Loa (eye worm) hypothetical protein 0.0014 0.006 0.0049
Loa Loa (eye worm) hypothetical protein 0.0111 0.0793 0.0783
Loa Loa (eye worm) hypothetical protein 0.0052 0.035 0.0339
Brugia malayi Nuclear hormone receptor E75 0.0052 0.035 0.0339
Echinococcus granulosus acetylcholinesterase 0.0236 0.1736 0.8636
Loa Loa (eye worm) hypothetical protein 0.0059 0.0398 0.0387
Loa Loa (eye worm) hypothetical protein 0.0025 0.0147 0.0136
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0036 0.0224 0.0212
Brugia malayi tailless protein 0.0052 0.035 0.0339
Echinococcus granulosus ecdysone induced protein 78C 0.0111 0.0793 0.3915
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0185 0.0174
Trypanosoma cruzi hypothetical protein, conserved 0.0025 0.0147 0.0102
Schistosoma mansoni synaptic glycoprotein sc2 related 0.0272 0.2008 1
Trichomonas vaginalis CMGC family protein kinase 0.0058 0.039 0.0379
Schistosoma mansoni voltage-gated potassium channel 0.0011 0.0038 0.0189
Entamoeba histolytica hypothetical protein 0.0272 0.2008 0.1966
Brugia malayi oxidoreductase 0.0025 0.0147 0.0136
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0058 0.039 0.0361
Schistosoma mansoni hypothetical protein 0.0058 0.0397 0.1975
Plasmodium falciparum plasmepsin II 0.0059 0.04 0.0497
Loa Loa (eye worm) hypothetical protein 0.004 0.0256 0.0244
Schistosoma mansoni gliotactin 0.004 0.0256 0.1273
Onchocerca volvulus 0.0025 0.0147 0.0446
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0052 0.035 0.0339
Echinococcus granulosus ATP dependent DNA helicase Q5 0.001 0.003 0.0092
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0111 0.0793 0.0783
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0111 0.0793 0.0783
Loa Loa (eye worm) hypothetical protein 0.004 0.0256 0.0244
Loa Loa (eye worm) carboxylesterase 0.0236 0.1736 0.1726
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0038 0.0242 0.0231
Mycobacterium ulcerans cholesterol dehydrogenase 0.0025 0.0147 0.0102
Loa Loa (eye worm) hypothetical protein 0.0015 0.0066 0.0054
Loa Loa (eye worm) hypothetical protein 0.0011 0.0038 0.0026
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0052 0.035 0.1696
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0996 0.7486 0.5
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.1329 1 1
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0272 0.2008 0.1984
Trichomonas vaginalis CMGC family protein kinase 0.0058 0.039 0.0379
Chlamydia trachomatis oxoacyl-ACP synthase III 0.0996 0.7486 0.5
Brugia malayi nuclear receptor RXR 0.0059 0.0398 0.0387
Loa Loa (eye worm) hypothetical protein 0.0052 0.035 0.0339
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0059 0.0398 0.1934
Brugia malayi hypothetical protein 0.0052 0.035 0.0339
Schistosoma mansoni acetylcholinesterase 0.004 0.0256 0.1273
Schistosoma mansoni cathepsin D (A01 family) 0.0174 0.1269 0.632
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0111 0.0793 0.3915
Echinococcus granulosus bloom syndrome protein 0.0024 0.0137 0.0628
Echinococcus multilocularis 0.0012 0.0045 0.0169
Loa Loa (eye worm) acetylcholinesterase 1 0.0236 0.1736 0.1726
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.004 0.0256 0.1273
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.0996 0.7486 1
Echinococcus multilocularis BC026374 protein (S09 family) 0.004 0.0256 0.1222
Toxoplasma gondii aspartyl protease ASP1 0.0059 0.04 0.0372
Plasmodium falciparum plasmepsin V 0.0014 0.006 0.004
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0272 0.2008 0.1972

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 26 nM Inhibitory activity against monkey renin in vitro. ChEMBL. 1552498
IC50 (binding) > 1000 nM Inhibitory activity against monkey renin in vitro. ChEMBL. 1552498

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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