Detailed information for compound 111613

Basic information

Technical information
  • TDR Targets ID: 111613
  • Name: phenyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[(1,1 ,1-trifluoro-4-methyl-2-oxopentan-3-yl)carbam oyl]pyrrolidin-1-yl]butan-2-yl]carbamate
  • MW: 485.497 | Formula: C23H30F3N3O5
  • H donors: 2 H acceptors: 4 LogP: 4.5 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N[C@H](C(=O)N1CCC[C@@H]1C(=O)NC(C(=O)C(F)(F)F)C(C)C)C(C)C)Oc1ccccc1
  • InChi: 1S/C23H30F3N3O5/c1-13(2)17(19(30)23(24,25)26)27-20(31)16-11-8-12-29(16)21(32)18(14(3)4)28-22(33)34-15-9-6-5-7-10-15/h5-7,9-10,13-14,16-18H,8,11-12H2,1-4H3,(H,27,31)(H,28,33)/t16-,17?,18-/m0/s1
  • InChiKey: NXGZZULJXIPNGC-RGBJRUIASA-N  


Substructure search Similarity search

Network

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Synonyms

  • phenyl N-[(1S)-2-methyl-1-[(2S)-2-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)carbamoyl]pyrrolidine-1-carbonyl]propyl]carbamate
  • N-[(1S)-2-methyl-1-[oxo-[(2S)-2-[oxo-[(3,3,3-trifluoro-1-isopropyl-2-oxopropyl)amino]methyl]-1-pyrrolidinyl]methyl]propyl]carbamic acid phenyl ester
  • phenyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[(1,1,1-trifluoro-4-methyl-2-oxo-pentan-3-yl)carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamate
  • N-[(1S)-2-methyl-1-[(2S)-2-[(3,3,3-trifluoro-1-isopropyl-2-keto-propyl)carbamoyl]pyrrolidine-1-carbonyl]propyl]carbamic acid phenyl ester

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0051 0.0146
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0051 0.0111
Echinococcus granulosus geminin 0.0181 0.2461 0.541
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0014 0.01 0.01
Schistosoma mansoni cercarial elastase (S01 family) 0.0007 0.0009 0.0019
Brugia malayi nuclear receptor NHR-88 0.001 0.0051 0.0146
Onchocerca volvulus Huntingtin homolog 0.0131 0.1752 0.8024
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0311 0.0895
Echinococcus multilocularis lamin dm0 0.0029 0.0311 0.0311
Loa Loa (eye worm) hypothetical protein 0.0029 0.0311 0.0683
Brugia malayi nuclear hormone receptor 0.001 0.0051 0.0146
Schistosoma mansoni hypothetical protein 0.0181 0.2461 0.541
Entamoeba histolytica hypothetical protein 0.0032 0.0352 0.0346
Brugia malayi Inositol-1 0.0039 0.0461 0.1328
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0038 0.0084
Plasmodium vivax importin-beta 2, putative 0.0031 0.0339 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0007 0.0009 0.0019
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0036 0.0105
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0051 0.0111
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0142 0.0142
Echinococcus granulosus lamin 0.0029 0.0311 0.0683
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0023 0.0224 0.0493
Loa Loa (eye worm) hypothetical protein 0.0007 0.0009 0.0019
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0023 0.0224 0.0646
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0051 0.0146
Schistosoma mansoni hypothetical protein 0.0051 0.0632 0.1389
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.3912 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0051 0.0146
Loa Loa (eye worm) hypothetical protein 0.0013 0.0093 0.0204
Onchocerca volvulus 0.0161 0.2184 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.3912 1
Brugia malayi hypothetical protein 0.0252 0.3472 1
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0051 0.0111
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0051 0.0146
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0051 0.0632 0.1819
Loa Loa (eye worm) hypothetical protein 0.0007 0.0009 0.0019
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.0257 0.1374
Schistosoma mansoni hypothetical protein 0.0017 0.0142 0.0312
Brugia malayi hypothetical protein 0.0161 0.2184 0.629
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0007 0.0009 0.0019
Loa Loa (eye worm) hypothetical protein 0.001 0.0051 0.0111
Schistosoma mansoni cercarial elastase (S01 family) 0.0007 0.0009 0.0019
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.3912 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.0656 0.1442
Brugia malayi CXXC zinc finger family protein 0.0031 0.0337 0.0971
Loa Loa (eye worm) hypothetical protein 0.0007 0.0009 0.0019
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0014 0.01 0.0221
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0461 1
Echinococcus multilocularis tar DNA binding protein 0.0185 0.2517 0.2517
Brugia malayi steroid hormone receptor 0.001 0.0051 0.0146
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0012 0.0025
Loa Loa (eye worm) CXXC zinc finger family protein 0.0031 0.0337 0.0741
Loa Loa (eye worm) hypothetical protein 0.0017 0.0142 0.0312
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0032 0.0352 0.0774
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0007 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0053 0.0656 0.1442
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0051 0.0111
Loa Loa (eye worm) hypothetical protein 0.0007 0.0009 0.0019
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0051 0.0111
Brugia malayi Trypsin-like protease protein 5 0.0007 0.0009 0.0026
Brugia malayi Trypsin family protein 0.0007 0.0009 0.0026
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0051 0.0111
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0051 0.0146
Brugia malayi TAR-binding protein 0.0185 0.2517 0.725
Onchocerca volvulus 0.0029 0.0311 0.1423
Brugia malayi Importin beta-1 subunit 0.0031 0.0339 0.0976
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0051 0.0146
Schistosoma mansoni ran 0.0023 0.0224 0.0493
Brugia malayi ecdysteroid receptor 0.001 0.0051 0.0146
Echinococcus multilocularis importin subunit beta 1 0.0031 0.0339 0.0339
Echinococcus multilocularis lamin 0.0029 0.0311 0.0311
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0007 0.0009 0.0019
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0007 0.0009 0.0019
Entamoeba histolytica hypothetical protein 0.0032 0.0352 0.0346
Leishmania major importin beta-1 subunit, putative 0.0025 0.0257 0.1374
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0007 0.0009 0.0019
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0039 0.0461 0.1174
Toxoplasma gondii histone lysine methyltransferase SET1 0.0058 0.0725 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0051 0.0111
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.0656 0.189
Echinococcus granulosus inositol monophosphatase 1 0.0039 0.0461 0.1014
Loa Loa (eye worm) hypothetical protein 0.0031 0.0339 0.0745
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0051 0.0111
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0138 0.1862 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0461 1
Echinococcus granulosus Mastin 0.0007 0.0009 0.0019
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0051 0.0111
Echinococcus granulosus transmembrane protease serine 3 0.0007 0.0009 0.0019
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0007 0.0009 0.0019
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0138 0.1862 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0283 0.3912 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.3912 1
Echinococcus multilocularis cpg binding protein 0.0032 0.0362 0.0362
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0122 0.0268
Schistosoma mansoni hypothetical protein 0.0017 0.0142 0.0312
Schistosoma mansoni thyroid hormone receptor 0.001 0.0051 0.0111
Loa Loa (eye worm) hypothetical protein 0.001 0.0051 0.0111
Schistosoma mansoni hypothetical protein 0.0007 0.0009 0.0019
Echinococcus multilocularis transmembrane protease serine 3 0.0007 0.0009 0.0009
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0051 0.0111
Schistosoma mansoni hypothetical protein 0.0017 0.0142 0.0312
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0038 0.0038
Brugia malayi RNA recognition motif domain containing protein 0.0185 0.2517 0.725
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0051 0.0146
Schistosoma mansoni cercarial elastase (S01 family) 0.0007 0.0009 0.0019
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0122 0.0351
Echinococcus granulosus enteropeptidase 0.0007 0.0009 0.0019
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0051 0.0111
Schistosoma mansoni lamin 0.0029 0.0311 0.0683
Schistosoma mansoni cercarial elastase (S01 family) 0.0007 0.0009 0.0019
Brugia malayi follicle stimulating hormone receptor 0.023 0.3155 0.9087
Onchocerca volvulus 0.0031 0.0337 0.1544
Echinococcus granulosus GTP binding nuclear protein Ran 0.0023 0.0224 0.0493
Treponema pallidum fructose-bisphosphate aldolase 0.0283 0.3912 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0051 0.0111
Schistosoma mansoni hypothetical protein 0.0181 0.2461 0.541
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0039 0.0461 0.2441
Schistosoma mansoni survival motor neuron protein 0.0051 0.0632 0.1389
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0051 0.0111
Echinococcus granulosus snurportin 1 0.0328 0.4548 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0051 0.0111
Brugia malayi hypothetical protein 0.0032 0.0352 0.1014
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0461 1
Onchocerca volvulus Huntingtin homolog 0.0131 0.1752 0.8024
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0142 0.0312
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0051 0.0111
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0051 0.0051
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0012 0.0025
Echinococcus multilocularis survival motor neuron protein 1 0.0252 0.3472 0.3472
Loa Loa (eye worm) hypothetical protein 0.0036 0.0418 0.0919
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0339 0.4845
Echinococcus granulosus intermediate filament protein 0.0029 0.0311 0.0683
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0257 0.0651
Loa Loa (eye worm) TAR-binding protein 0.0185 0.2517 0.5534
Loa Loa (eye worm) hypothetical protein 0.0007 0.0009 0.0019
Echinococcus granulosus survival motor neuron protein 1 0.0252 0.3472 0.7633
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0051 0.0146
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0051 0.0146
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0012 0.0012
Brugia malayi hypothetical protein 0.0007 0.0009 0.0026
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0051 0.0051
Schistosoma mansoni cpg binding protein 0.0031 0.0337 0.0741
Schistosoma mansoni hypothetical protein 0.0007 0.0009 0.0019
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0023 0.0224 0.0224
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0142 0.0312
Brugia malayi Trypsin family protein 0.0007 0.0009 0.0026
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0007 0.0009 0.0019
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0311 0.0683
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0051 0.0111
Echinococcus multilocularis snurportin 1 0.0328 0.4548 0.4548
Echinococcus multilocularis enteropeptidase 0.0007 0.0009 0.0009
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0007 0.0009 0.0026
Loa Loa (eye worm) hypothetical protein 0.0252 0.3472 0.7633
Brugia malayi Trypsin family protein 0.0007 0.0009 0.0026
Onchocerca volvulus 0.0007 0.0009 0.0041
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0051 0.0146
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0051 0.0051
Onchocerca volvulus 0.0007 0.0009 0.0041
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0185 0.2517 0.5534
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0051 0.0051
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0311 0.0683
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0051 0.0111
Schistosoma mansoni tar DNA-binding protein 0.0185 0.2517 0.5534
Echinococcus granulosus lamin dm0 0.0029 0.0311 0.0683
Loa Loa (eye worm) hypothetical protein 0.0007 0.0009 0.0019
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0051 0.0051
Trichomonas vaginalis ran, putative 0.0023 0.0224 0.0568
Schistosoma mansoni inositol monophosphatase 0.0039 0.0461 0.1014
Schistosoma mansoni cercarial elastase (S01 family) 0.0007 0.0009 0.0019
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0039 0.0461 0.0643
Loa Loa (eye worm) hypothetical protein 0.0028 0.0303 0.0667
Schistosoma mansoni tar DNA-binding protein 0.0185 0.2517 0.5534
Echinococcus multilocularis geminin 0.0181 0.2461 0.2461
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0012 0.0012
Onchocerca volvulus 0.0029 0.0311 0.1423
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0051 0.0111
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0418 0.1204
Schistosoma mansoni cercarial elastase (S01 family) 0.0007 0.0009 0.0019
Loa Loa (eye worm) trypsin family protein 0.0007 0.0009 0.0019
Entamoeba histolytica hypothetical protein 0.0025 0.0257 0.0088
Schistosoma mansoni cpg binding protein 0.0032 0.0362 0.0796
Echinococcus multilocularis inositol monophosphatase 1 0.0039 0.0461 0.0461
Schistosoma mansoni hypothetical protein 0.0036 0.0418 0.0919
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0007 0.0009 0.0019
Loa Loa (eye worm) RNA binding protein 0.0185 0.2517 0.5534
Brugia malayi intermediate filament protein 0.0029 0.0311 0.0895
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0257 0.0651
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0051 0.0051
Loa Loa (eye worm) hypothetical protein 0.001 0.0051 0.0111
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0051 0.0111
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0007 0.0009 0.0009
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0051 0.0051
Entamoeba histolytica hypothetical protein 0.0032 0.0352 0.0346
Loa Loa (eye worm) hypothetical protein 0.001 0.0051 0.0111
Loa Loa (eye worm) hypothetical protein 0.001 0.0051 0.0111
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0461 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0051 0.0111
Trichomonas vaginalis importin beta-1, putative 0.0025 0.0257 0.0651
Schistosoma mansoni hypothetical protein 0.0328 0.4548 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0093 0.0204
Schistosoma mansoni tar DNA-binding protein 0.0185 0.2517 0.5534
Echinococcus granulosus FTZ F1 alpha 0.001 0.0051 0.0111
Schistosoma mansoni coup transcription factor 0.001 0.0051 0.0111
Loa Loa (eye worm) inositol-1 0.0039 0.0461 0.1014
Loa Loa (eye worm) hypothetical protein 0.001 0.0051 0.0111
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0283 0.3912 1
Schistosoma mansoni tar DNA-binding protein 0.0185 0.2517 0.5534
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.3912 1
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0051 0.0111
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0142 0.0409
Schistosoma mansoni thyroid hormone receptor 0.001 0.0051 0.0111
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.3912 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0051 0.0146
Trichomonas vaginalis inositol monophosphatase, putative 0.0039 0.0461 0.1174
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0051 0.0111
Brugia malayi RNA, U transporter 1 0.0087 0.1141 0.3287
Echinococcus multilocularis musashi 0.0029 0.0311 0.0311
Entamoeba histolytica hypothetical protein 0.0032 0.0352 0.0346
Echinococcus granulosus importin subunit beta 1 0.0031 0.0339 0.0745
Loa Loa (eye worm) hypothetical protein 0.0007 0.0009 0.0019
Echinococcus granulosus glycoprotein Antigen 5 0.0007 0.0009 0.0019
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0051 0.0232
Schistosoma mansoni hypothetical protein 0.0017 0.0142 0.0312
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0051 0.0051
Echinococcus granulosus GPCR family 2 0.0017 0.0142 0.0312
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0039 0.0461 0.4735
Onchocerca volvulus 0.001 0.0051 0.0232
Schistosoma mansoni cercarial elastase (S01 family) 0.0007 0.0009 0.0019
Brugia malayi Trypsin family protein 0.0007 0.0009 0.0026
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0039 0.0461 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.0051 0.0111
Loa Loa (eye worm) hypothetical protein 0.0161 0.2184 0.4801
Echinococcus multilocularis glycoprotein Antigen 5 0.0007 0.0009 0.0009
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0142 0.0312
Plasmodium falciparum importin beta, putative 0.0031 0.0339 1
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0051 0.0146
Brugia malayi RNA binding protein 0.0185 0.2517 0.725
Echinococcus multilocularis GPCR, family 2 0.0017 0.0142 0.0142
Schistosoma mansoni transcription factor LCR-F1 0.0032 0.0352 0.0774
Toxoplasma gondii HEAT repeat-containing protein 0.0031 0.0339 0.2294
Onchocerca volvulus 0.0007 0.0009 0.0041
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0051 0.0146
Schistosoma mansoni cpg binding protein 0.0032 0.0362 0.0796
Onchocerca volvulus 0.0007 0.0009 0.0041
Onchocerca volvulus 0.0007 0.0009 0.0041
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0339 0.4845
Schistosoma mansoni inositol monophosphatase 0.0039 0.0461 0.1014
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0138 0.1862 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0328 0.4548 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0051 0.0146
Echinococcus granulosus cpg binding protein 0.0032 0.0362 0.0796
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0038 0.0084
Echinococcus granulosus tar DNA binding protein 0.0185 0.2517 0.5534
Schistosoma mansoni lamin 0.0029 0.0311 0.0683
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0007 0.0009 0.0019
Loa Loa (eye worm) hypothetical protein 0.0131 0.1752 0.3853
Onchocerca volvulus 0.0007 0.0009 0.0041
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0051 0.0232
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0007 0.0009 0.0019
Schistosoma mansoni tar DNA-binding protein 0.0185 0.2517 0.5534
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0051 0.0111
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0065 0.0823 0.181
Loa Loa (eye worm) hypothetical protein 0.0131 0.1752 0.3853
Schistosoma mansoni intermediate filament proteins 0.0029 0.0311 0.0683
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0007 0.0009 0.0019
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0051 0.0146
Schistosoma mansoni hypothetical protein 0.0032 0.0352 0.0774
Schistosoma mansoni cercarial elastase (S01 family) 0.0007 0.0009 0.0019
Loa Loa (eye worm) hypothetical protein 0.0014 0.01 0.0221
Onchocerca volvulus 0.0051 0.0632 0.2892
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0051 0.0111
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0051 0.0111
Giardia lamblia Fructose-bisphosphate aldolase 0.0283 0.3912 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0039 0.0461 0.1174
Schistosoma mansoni cercarial elastase (S01 family) 0.0007 0.0009 0.0019
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.0656 0.189
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.3912 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.023 0.3155 0.6936
Schistosoma mansoni nuclear hormone receptor 0.001 0.0051 0.0111
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0142 0.0409
Brugia malayi hypothetical protein 0.0131 0.1752 0.5048
Echinococcus multilocularis Mastin 0.0007 0.0009 0.0009
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0051 0.0051
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0142 0.0142
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0012 0.0025
Loa Loa (eye worm) hypothetical protein 0.001 0.0051 0.0111
Schistosoma mansoni importin beta-1 0.0031 0.0339 0.0745
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.3912 1
Schistosoma mansoni ran 0.0023 0.0224 0.0493
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0051 0.0146
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0051 0.0232
Schistosoma mansoni cercarial elastase (S01 family) 0.0007 0.0009 0.0019
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0032 0.0352 0.0352

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 93 % Percent inhibition of elastase-induced lung damage by 10 mg/kg dosed orally, 30 minutes prior to the instillation of 50 ug of elastase ChEMBL. 9379436
Ki (binding) = 1.5 nM Binding affinity for human leukocyte elastase ChEMBL. 9379436
Ki (binding) = 2.3 nM In vitro inhibitory activity against human leukocyte elastase was determined 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

1 literature reference was collected for this gene.

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