Detailed information for compound 434663

Basic information

Technical information
  • TDR Targets ID: 434663
  • Name: (3-methylpyrazol-1-yl)-(3,4,5-trimethoxypheny l)methanone
  • MW: 276.288 | Formula: C14H16N2O4
  • H donors: 0 H acceptors: 2 LogP: 2.09 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(cc(c1OC)OC)C(=O)n1ccc(n1)C
  • InChi: 1S/C14H16N2O4/c1-9-5-6-16(15-9)14(17)10-7-11(18-2)13(20-4)12(8-10)19-3/h5-8H,1-4H3
  • InChiKey: OYKZCMONWDBMLU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (3-methyl-1-pyrazolyl)-(3,4,5-trimethoxyphenyl)methanone
  • Oprea1_540013
  • ZINC00477315
  • MLS001205420
  • SMR000523627
  • ST073523
  • (3-Methyl-pyrazol-1-yl)-(3,4,5-trimethoxy-phenyl)-methanone
  • BAS 06342500
  • ARONIS006037

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens elastase, neutrophil expressed Starlite/ChEMBL References
Homo sapiens sirtuin 5 Starlite/ChEMBL No references
Homo sapiens coagulation factor II (thrombin) Starlite/ChEMBL References
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Toxoplasma gondii histone deacetylase SIR2 Get druggable targets OG5_127825 All targets in OG5_127825
Mycobacterium leprae Probable NAD-dependent deacetylase NpdA (Regulatory protein SIR2 homolog) Get druggable targets OG5_127825 All targets in OG5_127825
Mycobacterium tuberculosis Transcriptional regulatory protein Get druggable targets OG5_127825 All targets in OG5_127825
Schistosoma japonicum ko:K01463 sirtuin 5 (silent mating type information regulation 2 homolog) 5 [EC:3.5.1.-], putative Get druggable targets OG5_127825 All targets in OG5_127825
Schistosoma mansoni chromatin regulatory protein sir2 Get druggable targets OG5_127825 All targets in OG5_127825
Leishmania major NAD dependent deacetylase, putative,transcriptional regulator, Sir2 family protein, nicotinic acid mononucleotide 5,6-dimethylbe Get druggable targets OG5_127825 All targets in OG5_127825
Mycobacterium ulcerans NAD-dependent deacetylase Get druggable targets OG5_127825 All targets in OG5_127825
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Leishmania mexicana NAD dependent deacetylase, putative,transcriptional regulator, Sir2 family protein, nicotinic acid mononucleotide 5,6-dimethylbe Get druggable targets OG5_127825 All targets in OG5_127825
Trypanosoma cruzi Silent information regulator 2 related protein 3 Get druggable targets OG5_127825 All targets in OG5_127825
Trypanosoma brucei Silent information regulator 2 related protein 3 Get druggable targets OG5_127825 All targets in OG5_127825
Trypanosoma brucei gambiense NAD dependent deacetylase, putative,transcriptional regulator, Sir2 family protein, nicotinic acid mononucleotide 5,6-dimethylbe Get druggable targets OG5_127825 All targets in OG5_127825
Candida albicans similar to archaebacterial Sir2 family protein Get druggable targets OG5_127825 All targets in OG5_127825
Candida albicans similar to archaebacterial Sir2 family protein Get druggable targets OG5_127825 All targets in OG5_127825
Leishmania braziliensis NAD dependent deacetylase, putative,transcriptional regulator, Sir2 family protein, nicotinic acid mononucleotide 5,6-dimethylbe Get druggable targets OG5_127825 All targets in OG5_127825
Trichomonas vaginalis chromatin regulatory protein sir2, putative Get druggable targets OG5_127825 All targets in OG5_127825
Trypanosoma congolense Silent information regulator 2 related protein 3 Get druggable targets OG5_127825 All targets in OG5_127825
Leishmania infantum NAD dependent deacetylase, putative,transcriptional regulator, Sir2 family protein, nicotinic acid mononucleotide 5,6-dimethylbe Get druggable targets OG5_127825 All targets in OG5_127825
Plasmodium berghei transcriptional regulatory protein sir2a Get druggable targets OG5_127825 All targets in OG5_127825
Neospora caninum NAD-dependent deacetylase, putative Get druggable targets OG5_127825 All targets in OG5_127825
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Trichomonas vaginalis chromatin regulatory protein sir2, putative Get druggable targets OG5_127825 All targets in OG5_127825
Entamoeba histolytica Sir2 family transcriptional regulator, putative Get druggable targets OG5_127825 All targets in OG5_127825
Plasmodium yoelii transcriptional regulatory protein, Sir2 family Get druggable targets OG5_127825 All targets in OG5_127825
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Plasmodium falciparum transcriptional regulatory protein sir2a Get druggable targets OG5_127825 All targets in OG5_127825
Plasmodium vivax NAD-dependent deacetylase, putative Get druggable targets OG5_127825 All targets in OG5_127825
Plasmodium knowlesi transcriptional regulatory protein sir2 homologue, putative Get druggable targets OG5_127825 All targets in OG5_127825
Giardia lamblia Transcriptional regulator, Sir2 family Get druggable targets OG5_127825 All targets in OG5_127825
Trichomonas vaginalis chromatin regulatory protein sir2, putative Get druggable targets OG5_127825 All targets in OG5_127825
Trypanosoma cruzi Silent information regulator 2 related protein 3 Get druggable targets OG5_127825 All targets in OG5_127825
Leishmania donovani Silent information regulator 2 related protein 3 Get druggable targets OG5_127825 All targets in OG5_127825
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Echinococcus granulosus transmembrane protease serine 3 elastase, neutrophil expressed 267 aa 236 aa 27.5 %
Trypanosoma brucei SIR2-like protein 4, putative sirtuin 5 292 aa 272 aa 29.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) transcriptional regulator 0.002 0.0168 0.0231
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0059 0.1643 0.3271
Schistosoma mansoni chromatin regulatory protein sir2 0.002 0.0168 0.0282
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.0062 0.1783 0.355
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0132 0.4435 0.377
Leishmania major hypothetical protein, conserved 0.0066 0.1919 0.382
Plasmodium falciparum transcriptional regulatory protein sir2a 0.0062 0.1783 1
Echinococcus granulosus kelch ECH associated protein 1 0.0092 0.2925 0.4033
Loa Loa (eye worm) sirtuin 4 0.002 0.0168 0.0231
Mycobacterium ulcerans beta-lactamase 0.0043 0.1069 0.5576
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0034 0.0723 0.1439
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.1069 0.3307
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.1069 0.1473
Brugia malayi hypothetical protein 0.0206 0.7254 1
Echinococcus granulosus tumor susceptibility gene 101 protein 0.0206 0.7254 1
Schistosoma mansoni chromatin regulatory protein sir2 0.002 0.0168 0.0282
Loa Loa (eye worm) hypothetical protein 0.0021 0.0222 0.0307
Loa Loa (eye worm) hypothetical protein 0.002 0.0168 0.0231
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0147 0.5024 0.8455
Mycobacterium ulcerans NAD-dependent deacetylase 0.0062 0.1783 1
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0034 0.0723 0.1439
Toxoplasma gondii histone deacetylase SIR2 0.0062 0.1783 0.355
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.1069 0.5576
Plasmodium vivax hypothetical protein, conserved 0.002 0.0168 0.0941
Giardia lamblia NAD-dependent histone deacetylase Sir2 0.002 0.0168 0.0941
Loa Loa (eye worm) hypothetical protein 0.0206 0.7254 1
Trypanosoma cruzi hypothetical protein, conserved 0.0034 0.0723 0.1439
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.002 0.0168 0.0519
Onchocerca volvulus 0.0043 0.1069 0.2127
Loa Loa (eye worm) hypothetical protein 0.0043 0.1069 0.1473
Brugia malayi prolyl oligopeptidase family protein 0.0147 0.5024 0.6926
Brugia malayi Kringle domain containing protein 0.0021 0.0222 0.0307
Echinococcus multilocularis NAD dependent deacetylase sirtuin 6 0.002 0.0168 0.0231
Schistosoma mansoni hypothetical protein 0.0021 0.0222 0.0374
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0147 0.5024 1
Mycobacterium leprae conserved hypothetical protein 0.0043 0.1069 0.0677
Echinococcus multilocularis chromatin regulatory protein sir2 0.002 0.0168 0.0231
Mycobacterium ulcerans lipase LipD 0.0043 0.1069 0.5576
Trypanosoma brucei Vps23 core domain containing protein, putative 0.0066 0.1919 0.382
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0034 0.0723 0.1439
Trypanosoma cruzi hypothetical protein, conserved 0.0021 0.0222 0.0443
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.1069 0.2127
Brugia malayi MH2 domain containing protein 0.0144 0.4907 0.6765
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.1069 0.3307
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.002 0.0168 0.0353
Echinococcus granulosus NAD dependent deacetylase sirtuin 7 0.002 0.0168 0.0231
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1069 0.3307
Onchocerca volvulus 0.0043 0.1069 0.2127
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0034 0.0723 0.1439
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0062 0.1783 0.5519
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.1069 0.2127
Giardia lamblia Sirtuin type 2 0.002 0.0168 0.0941
Leishmania major NAD dependent deacetylase, putative,transcriptional regulator, Sir2 family protein, nicotinic acid mononucleotide 5,6-dimethylbe 0.0062 0.1783 0.355
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0723 0.2238
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.002 0.0168 0.0519
Loa Loa (eye worm) beta-lactamase 0.0043 0.1069 0.1473
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0034 0.0723 0.1439
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.002 0.0168 0.0519
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1069 0.3307
Loa Loa (eye worm) hypothetical protein 0.0043 0.1069 0.1473
Brugia malayi transcriptional regulator, Sir2 family protein 0.002 0.0168 0.0231
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0034 0.0723 0.1439
Echinococcus multilocularis kelch ECH associated protein 1 0.0092 0.2925 0.4033
Leishmania major oligopeptidase b 0.0059 0.1643 0.3271
Schistosoma mansoni chromatin regulatory protein sir2 0.002 0.0168 0.0282
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0059 0.1643 1
Entamoeba histolytica NAD-dependent deacetylase 1, putative 0.002 0.0168 0.0353
Schistosoma mansoni hypothetical protein 0.0092 0.2935 0.4939
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.1069 0.1473
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0147 0.5024 0.8455
Entamoeba histolytica hypothetical protein, conserved 0.002 0.0168 0.0353
Loa Loa (eye worm) TK/ROR protein kinase 0.0021 0.0222 0.0307
Mycobacterium ulcerans hypothetical protein 0.0043 0.1069 0.5576
Echinococcus granulosus NAD dependent deacetylase sirtuin 6 0.002 0.0168 0.0231
Leishmania major sir2-family protein-like protein 0.002 0.0168 0.0334
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.002 0.0168 0.0519
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0723 0.2238
Entamoeba histolytica hypothetical protein 0.0034 0.0723 0.1524
Leishmania major hypothetical protein, conserved 0.0043 0.1069 0.2127
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.002 0.0168 0.0519
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.0062 0.1783 0.355
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0034 0.0723 0.1439
Entamoeba histolytica hypothetical protein 0.0034 0.0723 0.1524
Brugia malayi beta-lactamase family protein 0.0043 0.1069 0.1473
Mycobacterium tuberculosis Probable peptidase 0.0059 0.1643 0.0643
Toxoplasma gondii kringle domain-containing protein 0.0021 0.0222 0.0443
Echinococcus multilocularis NAD dependent deacetylase sirtuin 3 0.002 0.0168 0.0231
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0034 0.0723 0.1439
Schistosoma mansoni chromatin regulatory protein sir2 0.002 0.0168 0.0282
Onchocerca volvulus 0.0043 0.1069 0.2127
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.002 0.0168 0.0519
Loa Loa (eye worm) hypothetical protein 0.0043 0.1069 0.1473
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0034 0.0723 0.1439
Trypanosoma brucei SIR2-like protein 4, putative 0.002 0.0168 0.0334
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.4907 0.6765
Echinococcus granulosus tissue type plasminogen activator 0.0021 0.0222 0.0307
Toxoplasma gondii ABC1 family protein 0.0043 0.1069 0.2127
Brugia malayi beta-lactamase family protein 0.0043 0.1069 0.1473
Entamoeba histolytica hypothetical protein 0.0034 0.0723 0.1524
Loa Loa (eye worm) transcriptional regulator 0.002 0.0168 0.0231
Trypanosoma brucei Silent information regulator 2 related protein 1 0.002 0.0168 0.0334
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.002 0.0168 0.0334
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.002 0.0168 0.0519
Trichomonas vaginalis hypothetical protein 0.01 0.3231 1
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0034 0.0723 0.1439
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.002 0.0168 0.0334
Giardia lamblia Transcriptional regulator, Sir2 family 0.0062 0.1783 1
Onchocerca volvulus Prolyl endopeptidase homolog 0.0147 0.5024 1
Loa Loa (eye worm) hypothetical protein 0.0147 0.5024 0.6926
Trypanosoma brucei UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0034 0.0723 0.1439
Echinococcus multilocularis tissue type plasminogen activator 0.0021 0.0222 0.0307
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0059 0.1643 0.3271
Loa Loa (eye worm) hypothetical protein 0.0043 0.1069 0.1473
Trichomonas vaginalis esterase, putative 0.0043 0.1069 0.3307
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.1069 0.1799
Schistosoma mansoni chromatin regulatory protein sir2 0.002 0.0168 0.0282
Trypanosoma cruzi Vps23 core domain containing protein, putative 0.0066 0.1919 0.382
Loa Loa (eye worm) hypothetical protein 0.0043 0.1069 0.1473
Plasmodium falciparum transcriptional regulatory protein sir2b 0.002 0.0168 0.0941
Echinococcus granulosus prolyl endopeptidase 0.0147 0.5024 0.6926
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0034 0.0723 0.1439
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.1069 0.1473
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0062 0.1783 0.5519
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.002 0.0168 0.0353
Toxoplasma gondii histone deacetylase SIR2-like 0.002 0.0168 0.0334
Plasmodium vivax NAD-dependent deacetylase, putative 0.0062 0.1783 1
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0021 0.0222 0.1247
Brugia malayi transcriptional regulator, Sir2 family protein 0.002 0.0168 0.0231
Echinococcus granulosus kelch ECH associated protein 1 like 0.0092 0.2925 0.4033
Plasmodium vivax hypothetical protein, conserved 0.0043 0.1069 0.5993
Onchocerca volvulus 0.0021 0.0222 0.0443
Schistosoma mansoni tsg101-related 0.0171 0.5942 1
Echinococcus multilocularis kelch ECH associated protein 1 0.0092 0.2925 0.4033
Brugia malayi transcriptional regulator, Sir2 family protein 0.002 0.0168 0.0231
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.1069 0.5576
Entamoeba histolytica hypothetical protein 0.0034 0.0723 0.1524
Giardia lamblia Hypothetical protein 0.002 0.0168 0.0941
Echinococcus multilocularis tumor susceptibility gene 101 protein 0.0206 0.7254 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1069 0.3307
Schistosoma mansoni chromatin regulatory protein sir2 0.002 0.0168 0.0282
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0059 0.1643 0.3271
Echinococcus granulosus chromatin regulatory protein sir2 0.002 0.0168 0.0231
Leishmania major hypothetical protein, conserved 0.0021 0.0222 0.0443
Plasmodium falciparum cysteine repeat modular protein 1 0.0021 0.0222 0.1247
Trypanosoma brucei prolyl oligopeptidase, putative 0.0059 0.1643 0.3271
Echinococcus granulosus NAD dependent deacetylase sirtuin 3 0.002 0.0168 0.0231
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0062 0.1783 0.5519
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0059 0.1643 0.9134
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.1069 0.1473
Trypanosoma cruzi oligopeptidase b 0.0059 0.1643 0.3271
Toxoplasma gondii prolyl endopeptidase 0.0147 0.5024 1
Brugia malayi Protein kinase domain containing protein 0.0021 0.0222 0.0307
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0059 0.1643 0.3271
Trypanosoma brucei oligopeptidase b 0.0059 0.1643 0.3271
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.1069 0.1799
Schistosoma mansoni tsg101-related 0.0171 0.5942 1
Echinococcus granulosus kelch ECH associated protein 1 like 0.0092 0.2925 0.4033
Loa Loa (eye worm) hypothetical protein 0.0043 0.1069 0.1473
Echinococcus granulosus NAD dependent deacetylase sirtuin 1 0.002 0.0168 0.0231
Echinococcus multilocularis prolyl endopeptidase 0.0147 0.5024 0.6926
Entamoeba histolytica tumor susceptibility gene 101 protein, putative 0.014 0.4746 1
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.4907 0.6765
Trypanosoma brucei prolyl endopeptidase 0.0147 0.5024 1
Echinococcus multilocularis Kelch repeat type 1 0.0092 0.2935 0.4046
Loa Loa (eye worm) transcriptional regulator 0.002 0.0168 0.0231
Trypanosoma cruzi oligopeptidase b 0.0059 0.1643 0.3271
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.002 0.0168 0.0519
Leishmania major silent information regulator 2, putative 0.002 0.0168 0.0334
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.1069 0.2127
Schistosoma mansoni chromatin regulatory protein sir2 0.0062 0.1783 0.3001
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0062 0.1783 0.3758
Brugia malayi beta-lactamase 0.0043 0.1069 0.1473
Echinococcus multilocularis NAD dependent deacetylase sirtuin 1 0.002 0.0168 0.0231
Trypanosoma cruzi hypothetical protein, conserved 0.0034 0.0723 0.1439
Trypanosoma cruzi prolyl endopeptidase 0.0147 0.5024 1
Mycobacterium leprae Probable lipase LipE 0.0043 0.1069 0.0677
Trypanosoma brucei Silent information regulator 2 related protein 3 0.0062 0.1783 0.355
Schistosoma mansoni tsg101-related 0.014 0.4746 0.7987
Brugia malayi NAD-dependent deacetylase SIRT1 0.002 0.0168 0.0231
Echinococcus multilocularis NAD dependent deacetylase sirtuin 7 0.002 0.0168 0.0231
Mycobacterium tuberculosis Transcriptional regulatory protein 0.0062 0.1783 0.08
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0059 0.1643 0.0643

Activities

Activity type Activity value Assay description Source Reference
AC50 (binding) 9.25 uM PubChem BioAssay. MLPCN SirT-5 Measured in Biochemical System Using Imaging - 7044-01_Inhibitor_Dose_CherryPick_Activity_Set5. (Class of assay: confirmatory) ChEMBL. No reference
Activity (binding) Inhibition of human spleen cathepsin D at 55 uM ChEMBL. 17850059
Activity (binding) Inhibition of pig kidney aminopeptidase M at 55 uM ChEMBL. 17850059
Activity (binding) 0 Inhibition of pig kidney aminopeptidase M at 55 uM ChEMBL. 17850059
Activity (binding) 0 Inhibition of human spleen cathepsin D at 55 uM ChEMBL. 17850059
IC50 (binding) = 50 nM Inhibition of human pancreatic chymotrypsin ChEMBL. 17850059
IC50 (binding) = 4800 nM Inhibition of human thrombin ChEMBL. 17850059
IC50 (binding) = 4800 nM Inhibition of human thrombin ChEMBL. 17850059
IC50 (binding) = 24900 nM Inhibition of human urokinase ChEMBL. 17850059
IC50 (binding) = 24900 nM Inhibition of human urokinase ChEMBL. 17850059
IC50 (binding) = 42200 nM Inhibition of human plasma kallikrein ChEMBL. 17850059
IC50 (binding) = 42200 nM Inhibition of human plasma kallikrein ChEMBL. 17850059
Ki (binding) = 21 nM Inhibition of human NE ChEMBL. 17850059
Ki (binding) = 21 nM Inhibition of human NE ChEMBL. 17850059
Potency (functional) = 1.122 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 6.3096 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
t1/2 = 4.2 hr Chemical stability in aqueous buffer at PH 7.3 by spontaneous hydrolysis ChEMBL. 17850059

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

1 literature reference was collected for this gene.

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