Detailed information for compound 1436584

Basic information

Technical information
  • TDR Targets ID: 1436584
  • Name: methyl 4-[(Z,4R)-5-[(3,5-difluorophenyl)methy lamino]-2-fluoro-4-methyl-5-oxo-1-(phenylmeth oxycarbonylamino)pent-2-enyl]benzoate
  • MW: 540.53 | Formula: C29H27F3N2O5
  • H donors: 2 H acceptors: 3 LogP: 4.87 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 2
  • SMILES: COC(=O)c1ccc(cc1)C(/C(=C/[C@H](C(=O)NCc1cc(F)cc(c1)F)C)/F)NC(=O)OCc1ccccc1
  • InChi: 1S/C29H27F3N2O5/c1-18(27(35)33-16-20-13-23(30)15-24(31)14-20)12-25(32)26(21-8-10-22(11-9-21)28(36)38-2)34-29(37)39-17-19-6-4-3-5-7-19/h3-15,18,26H,16-17H2,1-2H3,(H,33,35)(H,34,37)/b25-12-/t18-,26?/m1/s1
  • InChiKey: XPGGBOQVZRFJJU-IFNFCHAZSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-[(Z,4R)-5-[(3,5-difluorophenyl)methylamino]-2-fluoro-4-methyl-5-oxo-1-[[oxo-(phenylmethoxy)methyl]amino]pent-2-enyl]benzoic acid methyl ester
  • 4-[(Z,4R)-1-(benzyloxycarbonylamino)-5-[(3,5-difluorobenzyl)amino]-2-fluoro-5-keto-4-methyl-pent-2-enyl]benzoic acid methyl ester
  • SDCCGMLS-0091271.P001
  • CMLD4_000326
  • NCGC00092109-01
  • UPCMLD05AGHW001177

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0221 0.0235
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0067 0.1855 0.1971
Echinococcus granulosus peroxidasin 0.0235 0.7242 0.7698
Loa Loa (eye worm) hypothetical protein 0.0235 0.7242 0.7242
Loa Loa (eye worm) animal heme peroxidase 0.0235 0.7242 0.7242
Loa Loa (eye worm) RecQ helicase 0.0022 0.0406 0.0406
Loa Loa (eye worm) hypothetical protein 0.005 0.1315 0.1315
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0882 1
Echinococcus granulosus transcription factor Dp 1 0.0039 0.0953 0.1013
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0882 0.4505
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.1855 1
Schistosoma mansoni hypothetical protein 0.0016 0.0221 0.0235
Mycobacterium ulcerans lipase LipD 0.0036 0.0882 1
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0042 0.0045
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0221 0.0221
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0042 0.0045
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.1315 0.1397
Onchocerca volvulus 0.0036 0.0882 0.0896
Loa Loa (eye worm) hypothetical protein 0.001 0.0042 0.0042
Loa Loa (eye worm) hypothetical protein 0.0235 0.7242 0.7242
Loa Loa (eye worm) hypothetical protein 0.0016 0.0221 0.0221
Loa Loa (eye worm) hypothetical protein 0.0303 0.9408 0.9408
Brugia malayi steroid hormone receptor 0.001 0.0042 0.0045
Loa Loa (eye worm) hypothetical protein 0.001 0.0042 0.0042
Schistosoma mansoni hypothetical protein 0.0127 0.3796 0.4035
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0042 0.0042
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0234 0.7224 0.7224
Brugia malayi ecdysteroid receptor 0.001 0.0042 0.0045
Onchocerca volvulus 0.0235 0.7242 0.7687
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0042 0.0045
Loa Loa (eye worm) hypothetical protein 0.0235 0.7242 0.7242
Mycobacterium tuberculosis Conserved protein 0.0036 0.0882 0.068
Mycobacterium ulcerans hypothetical protein 0.0036 0.0882 1
Brugia malayi nuclear receptor NHR-88 0.001 0.0042 0.0045
Onchocerca volvulus Dual oxidase homolog 0.0235 0.7242 0.7687
Trichomonas vaginalis esterase, putative 0.0036 0.0882 1
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0882 0.068
Brugia malayi Animal haem peroxidase family protein 0.0235 0.7242 0.7698
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0042 0.0042
Loa Loa (eye worm) cytochrome P450 family protein 0.0018 0.0305 0.0305
Schistosoma mansoni thyroid hormone receptor 0.0138 0.4124 0.4383
Echinococcus granulosus geminin 0.0172 0.5208 0.5536
Trichomonas vaginalis glutathione reductase, putative 0.0022 0.0423 0.4246
Brugia malayi hypothetical protein 0.0123 0.3661 0.3891
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0882 0.4505
Loa Loa (eye worm) hypothetical protein 0.0036 0.0882 0.0882
Mycobacterium ulcerans beta-lactamase 0.0036 0.0882 1
Toxoplasma gondii thioredoxin reductase 0.0064 0.1758 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0266 0.0266
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0019 0.0322 0.1832
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0233 0.7172 1
Echinococcus multilocularis protein cereblon 0.0303 0.9408 1
Brugia malayi nuclear hormone receptor 0.001 0.0042 0.0045
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.1855 1
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0042 0.0045
Echinococcus granulosus bloom syndrome protein 0.0022 0.0406 0.0432
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0042 0.0045
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0022 0.0423 0.2404
Loa Loa (eye worm) hypothetical protein 0.0235 0.7242 0.7242
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0042 0.0045
Onchocerca volvulus Protein cereblon homolog 0.0303 0.9408 1
Echinococcus multilocularis transcription factor Dp 1 0.0039 0.0953 0.1013
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0042 0.0045
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0022 0.0423 0.1913
Brugia malayi glutathione reductase 0.0064 0.1758 0.1869
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0882 0.0937
Loa Loa (eye worm) hypothetical protein 0.0235 0.7242 0.7242
Loa Loa (eye worm) animal heme peroxidase 0.0235 0.7242 0.7242
Trypanosoma cruzi trypanothione reductase, putative 0.0064 0.1758 0.9457
Schistosoma mansoni blooms syndrome DNA helicase 0.0017 0.0261 0.0277
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0022 0.0423 0.1913
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0882 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0882 0.0882
Loa Loa (eye worm) hypothetical protein 0.0235 0.7242 0.7242
Schistosoma mansoni peroxidasin 0.0235 0.7242 0.7698
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0882 0.068
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0042 0.0045
Echinococcus granulosus GPCR family 2 0.0016 0.0221 0.0235
Brugia malayi Peroxidasin 0.0235 0.7242 0.7698
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0022 0.0423 0.0449
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0022 0.0423 0.2044
Brugia malayi beta-lactamase family protein 0.0036 0.0882 0.0937
Toxoplasma gondii NADPH-glutathione reductase 0.0022 0.0423 0.2404
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0042 0.0045
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0882 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0022 0.0423 0.1913
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0022 0.0423 0.1913
Plasmodium falciparum thioredoxin reductase 0.0022 0.0423 0.2404
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0042 0.0045
Loa Loa (eye worm) hypothetical protein 0.0235 0.7242 0.7242
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0022 0.0423 0.1913
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0067 0.1855 0.1971
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0022 0.0423 0.1526
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0042 0.0045
Schistosoma mansoni hypothetical protein 0.0016 0.0221 0.0235
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0042 0.0045
Schistosoma mansoni coup transcription factor 0.001 0.0042 0.0045
Schistosoma mansoni hypothetical protein 0.0016 0.0221 0.0235
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0882 0.0937
Trichomonas vaginalis DNA helicase recq, putative 0.0022 0.0406 0.4039
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0042 0.0045
Plasmodium vivax thioredoxin reductase, putative 0.0064 0.1758 1
Loa Loa (eye worm) hypothetical protein 0.0235 0.7242 0.7242
Loa Loa (eye worm) hypothetical protein 0.0034 0.0808 0.0808
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.1855 1
Trypanosoma brucei cytochrome P450, putative 0.0018 0.0305 0.1247
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0882 0.0882
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0042 0.0045
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0042 0.0045
Trypanosoma cruzi cytochrome P450, putative 0.0018 0.0305 0.1247
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0042 0.0045
Schistosoma mansoni hypothetical protein 0.0016 0.0221 0.0235
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0882 0.0937
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0882 0.068
Echinococcus multilocularis peroxidasin 0.0235 0.7242 0.7698
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0042 0.0045
Loa Loa (eye worm) hypothetical protein 0.001 0.0042 0.0042
Loa Loa (eye worm) hypothetical protein 0.0235 0.7242 0.7242
Loa Loa (eye worm) hypothetical protein 0.0235 0.7242 0.7242
Loa Loa (eye worm) hypothetical protein 0.0011 0.0053 0.0053
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.1315 0.1315
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0221 0.0235
Onchocerca volvulus 0.0235 0.7242 0.7687
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0064 0.1758 0.1979
Leishmania major cytochrome p450-like protein 0.0018 0.0305 0.1247
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0882 0.4505
Giardia lamblia NADH oxidase lateral transfer candidate 0.0022 0.0423 1
Brugia malayi beta-lactamase 0.0036 0.0882 0.0937
Brugia malayi follicle stimulating hormone receptor 0.0234 0.7224 0.7678
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0022 0.0423 0.1913
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0014 0.0177 0.1005
Schistosoma mansoni hypothetical protein 0.0303 0.9408 1
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0016 0.0235 0.0249
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0042 0.0045
Brugia malayi Bloom's syndrome protein homolog 0.0022 0.0406 0.0432
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0882 0.068
Loa Loa (eye worm) hypothetical protein 0.001 0.0042 0.0042
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0042 0.0045
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0882 1
Brugia malayi Blistered cuticle protein 3 0.0235 0.7242 0.7698
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0042 0.0045
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0882 0.0937
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0882 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0042 0.0042
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0042 0.0045
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0067 0.1855 0.1971
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0882 0.0937
Echinococcus multilocularis thyroid hormone receptor alpha 0.0138 0.4124 0.4383
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0022 0.0423 0.5
Plasmodium falciparum glutathione reductase 0.0022 0.0423 0.2404
Onchocerca volvulus Chorion peroxidase homolog 0.0235 0.7242 0.7687
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0022 0.0423 0.1526
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0022 0.0423 0.1913
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0022 0.0423 0.1913
Toxoplasma gondii ABC1 family protein 0.0036 0.0882 0.5014
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0022 0.0423 0.2044
Loa Loa (eye worm) CYP4Cod1 0.0018 0.0305 0.0305
Onchocerca volvulus 0.0036 0.0882 0.0896
Loa Loa (eye worm) glutathione reductase 0.0064 0.1758 0.1758
Entamoeba histolytica hypothetical protein, conserved 0.0303 0.9408 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0042 0.0042
Mycobacterium tuberculosis Conserved protein 0.0036 0.0882 0.068
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0042 0.0045
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0022 0.0423 0.1913
Loa Loa (eye worm) cytochrome P450 family protein 0.0018 0.0305 0.0305
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0042 0.0045
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0022 0.0423 0.2404
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0022 0.0423 0.2044
Onchocerca volvulus Peroxidasin homolog 0.0235 0.7242 0.7687
Schistosoma mansoni hypothetical protein 0.0034 0.0808 0.0859
Loa Loa (eye worm) blistered cuticle protein 3 0.0235 0.7242 0.7242
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0042 0.0045
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0221 0.0235
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0042 0.0045
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0042 0.0045
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0022 0.0423 0.1913
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0022 0.0423 0.1913
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0022 0.0423 0.1913
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0042 0.0045
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0022 0.0423 0.1913
Echinococcus granulosus thioredoxin glutathione reductase 0.0064 0.1758 0.1869
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0882 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0042 0.0045
Brugia malayi Cytochrome P450 family protein 0.0018 0.0305 0.0324
Echinococcus granulosus FTZ F1 alpha 0.001 0.0042 0.0045
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0022 0.0423 0.1913
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0022 0.0423 0.0449
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0042 0.0042
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0882 1
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0882 1
Onchocerca volvulus Peroxidase homolog 0.0235 0.7242 0.7687
Trypanosoma brucei trypanothione reductase 0.0064 0.1758 0.9457
Loa Loa (eye worm) hypothetical protein 0.0036 0.0882 0.0882
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0882 0.068
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0042 0.0045
Plasmodium falciparum glutathione reductase 0.0064 0.1758 1
Mycobacterium leprae Probable lipase LipE 0.0036 0.0882 1
Brugia malayi Animal haem peroxidase family protein 0.0235 0.7242 0.7698
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0042 0.0042
Loa Loa (eye worm) hypothetical protein 0.0235 0.7242 0.7242
Brugia malayi Animal haem peroxidase family protein 0.0235 0.7242 0.7698
Echinococcus multilocularis geminin 0.0172 0.5208 0.5536
Loa Loa (eye worm) hypothetical protein 0.001 0.0042 0.0042
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0882 0.4438
Plasmodium vivax glutathione reductase, putative 0.0064 0.1758 1
Leishmania major trypanothione reductase 0.0064 0.1758 0.9457
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0882 0.068
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0042 0.0045
Schistosoma mansoni hypothetical protein 0.0172 0.5208 0.5536
Schistosoma mansoni nuclear hormone receptor 0.001 0.0042 0.0045
Trichomonas vaginalis DNA helicase recq1, putative 0.0022 0.0406 0.4039
Brugia malayi Thioredoxin reductase 0.0064 0.1758 0.1869
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0022 0.0423 0.1913
Echinococcus multilocularis thioredoxin glutathione reductase 0.0064 0.1758 0.1869
Loa Loa (eye worm) hypothetical protein 0.0235 0.7242 0.7242
Plasmodium falciparum thioredoxin reductase 0.0064 0.1758 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0042 0.0045
Loa Loa (eye worm) beta-lactamase 0.0036 0.0882 0.0882
Trypanosoma cruzi cytochrome P450, putative 0.0018 0.0305 0.1247
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0042 0.0045
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0022 0.0423 0.0449
Schistosoma mansoni hypothetical protein 0.0172 0.5208 0.5536
Schistosoma mansoni thyroid hormone receptor 0.0138 0.4124 0.4383
Loa Loa (eye worm) animal heme peroxidase 0.0235 0.7242 0.7242
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0042 0.0042
Onchocerca volvulus Peroxidase homolog 0.0235 0.7242 0.7687
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0808 0.0859
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0221 0.0235
Trypanosoma cruzi trypanothione reductase, putative 0.0022 0.0423 0.1913
Trichomonas vaginalis mercuric reductase, putative 0.0022 0.0423 0.4246
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.1315 0.1397
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0042 0.0042
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0022 0.0423 0.2404
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0042 0.0045
Brugia malayi Cytochrome P450 family protein 0.0018 0.0305 0.0324
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0016 0.0235 0.0249
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0067 0.1855 0.1855
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0042 0.0045
Onchocerca volvulus Peroxidasin homolog 0.0235 0.7242 0.7687
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0022 0.0423 0.1913
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0221 0.0235
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0042 0.0045
Loa Loa (eye worm) thioredoxin reductase 0.0064 0.1758 0.1758
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0022 0.0423 0.0449
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0882 0.068
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0067 0.1855 1
Brugia malayi Animal haem peroxidase family protein 0.0235 0.7242 0.7698
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0009 0.00000000013006 0.00000000073963
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0042 0.0045
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0067 0.1855 0.1899
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0042 0.0045
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0042 0.0045
Loa Loa (eye worm) hypothetical protein 0.0235 0.7242 0.7242
Echinococcus multilocularis GPCR, family 2 0.0016 0.0221 0.0235
Echinococcus multilocularis bloom syndrome protein 0.0022 0.0406 0.0432
Leishmania major hypothetical protein, conserved 0.0036 0.0882 0.4505
Loa Loa (eye worm) animal heme peroxidase 0.0235 0.7242 0.7242
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0067 0.1855 0.1971
Loa Loa (eye worm) hypothetical protein 0.0036 0.0882 0.0882
Loa Loa (eye worm) hypothetical protein 0.0235 0.7242 0.7242
Loa Loa (eye worm) hypothetical protein 0.001 0.0042 0.0042
Loa Loa (eye worm) hypothetical protein 0.0036 0.0882 0.0882
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0221 0.0235
Brugia malayi hypothetical protein 0.0235 0.7242 0.7698
Loa Loa (eye worm) hypothetical protein 0.0036 0.0882 0.0882
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0042 0.0045
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0127 0.3796 0.4035
Schistosoma mansoni peroxidasin 0.0235 0.7242 0.7698
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0022 0.0423 0.5
Treponema pallidum NADH oxidase 0.0022 0.0423 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.0042 0.0042
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0042 0.0045
Brugia malayi hypothetical protein 0.0303 0.9408 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0042 0.0045
Echinococcus granulosus protein cereblon 0.0303 0.9408 1
Brugia malayi beta-lactamase family protein 0.0036 0.0882 0.0937
Brugia malayi Animal haem peroxidase family protein 0.0235 0.7242 0.7698
Mycobacterium tuberculosis Conserved protein 0.0036 0.0882 0.068
Loa Loa (eye worm) hypothetical protein 0.001 0.0042 0.0042
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0022 0.0423 0.5
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0127 0.3796 0.4035
Onchocerca volvulus 0.0036 0.0882 0.0896
Onchocerca volvulus 0.0235 0.7242 0.7687

Activities

Activity type Activity value Assay description Source Reference
Potency (ADMET) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (ADMET) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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