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
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 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
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 donovani 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
Leishmania braziliensis cytochrome p450-like 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
Loa Loa (eye worm) 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
Loa Loa (eye worm) CYP4Cod1 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) cytochrome P450 family 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
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 infantum cytochrome p450-like protein 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
Trypanosoma brucei 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
Trypanosoma congolense cytochrome P450, putative 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
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
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0009 0.00000000013006 0.00000000073963
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0882 1
Echinococcus multilocularis transcription factor Dp 1 0.0039 0.0953 0.1013
Onchocerca volvulus 0.0036 0.0882 0.0896
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0042 0.0042
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0022 0.0423 0.1913
Loa Loa (eye worm) RecQ helicase 0.0022 0.0406 0.0406
Loa Loa (eye worm) hypothetical protein 0.0235 0.7242 0.7242
Echinococcus multilocularis peroxidasin 0.0235 0.7242 0.7698
Trypanosoma cruzi cytochrome P450, putative 0.0018 0.0305 0.1247
Leishmania major trypanothione reductase 0.0064 0.1758 0.9457
Trypanosoma cruzi trypanothione reductase, putative 0.0022 0.0423 0.1913
Brugia malayi Animal haem peroxidase family protein 0.0235 0.7242 0.7698
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0022 0.0423 0.1913
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0042 0.0045
Loa Loa (eye worm) hypothetical protein 0.0017 0.0266 0.0266
Schistosoma mansoni hypothetical protein 0.0172 0.5208 0.5536
Leishmania major hypothetical protein, conserved 0.0036 0.0882 0.4505
Loa Loa (eye worm) cytochrome P450 family protein 0.0018 0.0305 0.0305
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0042 0.0045
Echinococcus granulosus protein cereblon 0.0303 0.9408 1
Toxoplasma gondii thioredoxin reductase 0.0064 0.1758 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0022 0.0423 0.0449
Loa Loa (eye worm) hypothetical protein 0.0235 0.7242 0.7242
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0022 0.0423 0.1913
Trichomonas vaginalis glutathione reductase, putative 0.0022 0.0423 0.4246
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0022 0.0423 0.1913
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0022 0.0423 0.1526
Loa Loa (eye worm) hypothetical protein 0.0303 0.9408 0.9408
Echinococcus granulosus bloom syndrome protein 0.0022 0.0406 0.0432
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0882 0.0937
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0022 0.0423 0.1913
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0067 0.1855 0.1855
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0022 0.0423 0.1913
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0882 0.0937
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0042 0.0045
Loa Loa (eye worm) glutathione reductase 0.0064 0.1758 0.1758
Schistosoma mansoni coup transcription factor 0.001 0.0042 0.0045
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0042 0.0045
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0882 0.068
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0882 0.4505
Loa Loa (eye worm) hypothetical protein 0.0235 0.7242 0.7242
Onchocerca volvulus 0.0235 0.7242 0.7687
Loa Loa (eye worm) hypothetical protein 0.0036 0.0882 0.0882
Brugia malayi beta-lactamase family protein 0.0036 0.0882 0.0937
Onchocerca volvulus Chorion peroxidase homolog 0.0235 0.7242 0.7687
Plasmodium falciparum glutathione reductase 0.0064 0.1758 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0064 0.1758 0.1869
Loa Loa (eye worm) hypothetical protein 0.001 0.0042 0.0042
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0067 0.1855 0.1971
Loa Loa (eye worm) hypothetical protein 0.001 0.0042 0.0042
Mycobacterium leprae Probable lipase LipE 0.0036 0.0882 1
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0022 0.0423 0.1913
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0042 0.0045
Loa Loa (eye worm) hypothetical protein 0.0036 0.0882 0.0882
Plasmodium vivax thioredoxin reductase, putative 0.0064 0.1758 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.1855 1
Mycobacterium tuberculosis Conserved protein 0.0036 0.0882 0.068
Loa Loa (eye worm) hypothetical protein 0.0235 0.7242 0.7242
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0022 0.0423 0.1913
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0042 0.0042
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0022 0.0423 0.2404
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0042 0.0045
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0042 0.0045
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0022 0.0423 0.1913
Onchocerca volvulus 0.0235 0.7242 0.7687
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0882 1
Schistosoma mansoni nuclear hormone receptor 0.001 0.0042 0.0045
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0882 0.068
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0882 0.0937
Giardia lamblia NADH oxidase lateral transfer candidate 0.0022 0.0423 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0882 0.0882
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0042 0.0045
Brugia malayi hypothetical protein 0.0235 0.7242 0.7698
Onchocerca volvulus 0.0036 0.0882 0.0896
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0042 0.0045
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
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0042 0.0045
Trypanosoma brucei cytochrome P450, putative 0.0018 0.0305 0.1247
Loa Loa (eye worm) hypothetical protein 0.0235 0.7242 0.7242
Brugia malayi beta-lactamase 0.0036 0.0882 0.0937
Onchocerca volvulus Peroxidasin homolog 0.0235 0.7242 0.7687
Loa Loa (eye worm) hypothetical protein 0.0036 0.0882 0.0882
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0882 0.068
Loa Loa (eye worm) hypothetical protein 0.001 0.0042 0.0042
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0221 0.0235
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0042 0.0045
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0882 0.068
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0882 0.0937
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0022 0.0423 0.2044
Loa Loa (eye worm) hypothetical protein 0.0235 0.7242 0.7242
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0042 0.0045
Brugia malayi Bloom's syndrome protein homolog 0.0022 0.0406 0.0432
Loa Loa (eye worm) hypothetical protein 0.001 0.0042 0.0042
Echinococcus granulosus transcription factor Dp 1 0.0039 0.0953 0.1013
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0221 0.0235
Plasmodium falciparum glutathione reductase 0.0022 0.0423 0.2404
Onchocerca volvulus Protein cereblon homolog 0.0303 0.9408 1
Loa Loa (eye worm) hypothetical protein 0.0235 0.7242 0.7242
Schistosoma mansoni thyroid hormone receptor 0.0138 0.4124 0.4383
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0042 0.0042
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0022 0.0423 0.2044
Trichomonas vaginalis DNA helicase recq1, putative 0.0022 0.0406 0.4039
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0234 0.7224 0.7224
Echinococcus multilocularis GPCR, family 2 0.0016 0.0221 0.0235
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0022 0.0423 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0042 0.0045
Plasmodium falciparum thioredoxin reductase 0.0064 0.1758 1
Loa Loa (eye worm) hypothetical protein 0.0235 0.7242 0.7242
Trypanosoma brucei trypanothione reductase 0.0064 0.1758 0.9457
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0022 0.0423 0.0449
Schistosoma mansoni hypothetical protein 0.0016 0.0221 0.0235
Schistosoma mansoni hypothetical protein 0.0127 0.3796 0.4035
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0042 0.0042
Brugia malayi Animal haem peroxidase family protein 0.0235 0.7242 0.7698
Plasmodium falciparum thioredoxin reductase 0.0022 0.0423 0.2404
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0221 0.0235
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0882 0.068
Onchocerca volvulus Dual oxidase homolog 0.0235 0.7242 0.7687
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0042 0.0042
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0014 0.0177 0.1005
Schistosoma mansoni hypothetical protein 0.0172 0.5208 0.5536
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0233 0.7172 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0042 0.0045
Onchocerca volvulus Peroxidase homolog 0.0235 0.7242 0.7687
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0882 0.4438
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0042 0.0042
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0067 0.1855 0.1971
Loa Loa (eye worm) hypothetical protein 0.0235 0.7242 0.7242
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0042 0.0042
Mycobacterium ulcerans lipase LipD 0.0036 0.0882 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0064 0.1758 0.1869
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0042 0.0045
Loa Loa (eye worm) hypothetical protein 0.005 0.1315 0.1315
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0042 0.0045
Brugia malayi hypothetical protein 0.0303 0.9408 1
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0016 0.0235 0.0249
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0042 0.0045
Brugia malayi Animal haem peroxidase family protein 0.0235 0.7242 0.7698
Onchocerca volvulus 0.0036 0.0882 0.0896
Brugia malayi Peroxidasin 0.0235 0.7242 0.7698
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0042 0.0045
Schistosoma mansoni hypothetical protein 0.0034 0.0808 0.0859
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0042 0.0045
Brugia malayi Cytochrome P450 family protein 0.0018 0.0305 0.0324
Mycobacterium ulcerans hypothetical protein 0.0036 0.0882 1
Brugia malayi Thioredoxin reductase 0.0064 0.1758 0.1869
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0022 0.0423 0.0449
Plasmodium vivax glutathione reductase, putative 0.0064 0.1758 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0022 0.0423 0.5
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0022 0.0423 0.1913
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0022 0.0423 0.1913
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0067 0.1855 0.1971
Brugia malayi nuclear receptor NHR-88 0.001 0.0042 0.0045
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0022 0.0423 0.2404
Brugia malayi steroid hormone receptor 0.001 0.0042 0.0045
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0042 0.0045
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0042 0.0045
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0022 0.0423 0.1913
Brugia malayi nuclear hormone receptor 0.001 0.0042 0.0045
Echinococcus granulosus peroxidasin 0.0235 0.7242 0.7698
Loa Loa (eye worm) cytochrome P450 family protein 0.0018 0.0305 0.0305
Leishmania major cytochrome p450-like protein 0.0018 0.0305 0.1247
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0042 0.0045
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0882 1
Loa Loa (eye worm) animal heme peroxidase 0.0235 0.7242 0.7242
Loa Loa (eye worm) CYP4Cod1 0.0018 0.0305 0.0305
Echinococcus granulosus geminin 0.0172 0.5208 0.5536
Schistosoma mansoni hypothetical protein 0.0016 0.0221 0.0235
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0042 0.0045
Trypanosoma cruzi trypanothione reductase, putative 0.0064 0.1758 0.9457
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0022 0.0423 0.0449
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0022 0.0423 0.1913
Loa Loa (eye worm) hypothetical protein 0.001 0.0042 0.0042
Onchocerca volvulus Peroxidasin homolog 0.0235 0.7242 0.7687
Brugia malayi ecdysteroid receptor 0.001 0.0042 0.0045
Loa Loa (eye worm) hypothetical protein 0.0235 0.7242 0.7242
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.1855 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0042 0.0045
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0022 0.0423 0.1913
Echinococcus multilocularis thyroid hormone receptor alpha 0.0138 0.4124 0.4383
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0882 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0221 0.0235
Loa Loa (eye worm) hypothetical protein 0.0016 0.0221 0.0221
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0022 0.0423 0.1913
Loa Loa (eye worm) hypothetical protein 0.0235 0.7242 0.7242
Brugia malayi Cytochrome P450 family protein 0.0018 0.0305 0.0324
Loa Loa (eye worm) hypothetical protein 0.0235 0.7242 0.7242
Entamoeba histolytica hypothetical protein, conserved 0.0303 0.9408 1
Brugia malayi Animal haem peroxidase family protein 0.0235 0.7242 0.7698
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0882 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0022 0.0423 0.2404
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0042 0.0045
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0127 0.3796 0.4035
Trichomonas vaginalis mercuric reductase, putative 0.0022 0.0423 0.4246
Trichomonas vaginalis esterase, putative 0.0036 0.0882 1
Trypanosoma cruzi cytochrome P450, putative 0.0018 0.0305 0.1247
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0042 0.0045
Brugia malayi hypothetical protein 0.0123 0.3661 0.3891
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0221 0.0235
Echinococcus granulosus FTZ F1 alpha 0.001 0.0042 0.0045
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0882 0.4505
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0882 0.068
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0042 0.0045
Loa Loa (eye worm) hypothetical protein 0.0036 0.0882 0.0882
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.1315 0.1397
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0067 0.1855 0.1899
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0882 1
Mycobacterium tuberculosis Conserved protein 0.0036 0.0882 0.068
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0042 0.0045
Brugia malayi follicle stimulating hormone receptor 0.0234 0.7224 0.7678
Onchocerca volvulus Peroxidase homolog 0.0235 0.7242 0.7687
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0042 0.0045
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0882 0.4505
Treponema pallidum NADH oxidase 0.0022 0.0423 0.5
Schistosoma mansoni peroxidasin 0.0235 0.7242 0.7698
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0022 0.0423 0.2044
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0042 0.0045
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0042 0.0045
Loa Loa (eye worm) hypothetical protein 0.0034 0.0808 0.0808
Schistosoma mansoni hypothetical protein 0.0016 0.0221 0.0235
Toxoplasma gondii NADPH-glutathione reductase 0.0022 0.0423 0.2404
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0067 0.1855 1
Onchocerca volvulus 0.0235 0.7242 0.7687
Loa Loa (eye worm) thioredoxin reductase 0.0064 0.1758 0.1758
Loa Loa (eye worm) animal heme peroxidase 0.0235 0.7242 0.7242
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0042 0.0045
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0221 0.0235
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.1315 0.1397
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0127 0.3796 0.4035
Echinococcus multilocularis protein cereblon 0.0303 0.9408 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0042 0.0045
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0882 0.068
Schistosoma mansoni blooms syndrome DNA helicase 0.0017 0.0261 0.0277
Loa Loa (eye worm) blistered cuticle protein 3 0.0235 0.7242 0.7242
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0882 0.0882
Loa Loa (eye worm) beta-lactamase 0.0036 0.0882 0.0882
Loa Loa (eye worm) hypothetical protein 0.0235 0.7242 0.7242
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.1855 1
Schistosoma mansoni peroxidasin 0.0235 0.7242 0.7698
Brugia malayi Blistered cuticle protein 3 0.0235 0.7242 0.7698
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0042 0.0045
Schistosoma mansoni hypothetical protein 0.0016 0.0221 0.0235
Loa Loa (eye worm) hypothetical protein 0.001 0.0042 0.0042
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
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0042 0.0045
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0221 0.0221
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0022 0.0423 0.1526
Trichomonas vaginalis DNA helicase recq, putative 0.0022 0.0406 0.4039
Loa Loa (eye worm) hypothetical protein 0.0235 0.7242 0.7242
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0882 0.0937
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0019 0.0322 0.1832
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0042 0.0045
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0808 0.0859
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0022 0.0423 0.1913
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0042 0.0045
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0042 0.0045
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0042 0.0045
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0067 0.1855 0.1971
Loa Loa (eye worm) animal heme peroxidase 0.0235 0.7242 0.7242
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0064 0.1758 0.1979
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0882 1
Loa Loa (eye worm) animal heme peroxidase 0.0235 0.7242 0.7242
Brugia malayi Animal haem peroxidase family protein 0.0235 0.7242 0.7698
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0042 0.0045
Loa Loa (eye worm) hypothetical protein 0.001 0.0042 0.0042
Brugia malayi glutathione reductase 0.0064 0.1758 0.1869
Toxoplasma gondii ABC1 family protein 0.0036 0.0882 0.5014
Echinococcus multilocularis bloom syndrome protein 0.0022 0.0406 0.0432
Schistosoma mansoni thyroid hormone receptor 0.0138 0.4124 0.4383
Echinococcus multilocularis geminin 0.0172 0.5208 0.5536
Loa Loa (eye worm) hypothetical protein 0.0036 0.0882 0.0882
Loa Loa (eye worm) hypothetical protein 0.0011 0.0053 0.0053
Mycobacterium tuberculosis Conserved protein 0.0036 0.0882 0.068
Mycobacterium ulcerans beta-lactamase 0.0036 0.0882 1
Echinococcus granulosus GPCR family 2 0.0016 0.0221 0.0235
Brugia malayi beta-lactamase family protein 0.0036 0.0882 0.0937
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.1315 0.1315
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
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0882 1

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.
 
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.

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