Detailed information for compound 1241708

Basic information

Technical information
  • TDR Targets ID: 1241708
  • Name: 2-cyclohexyl-9-[4-(4-methoxyphenyl)piperazine -1-carbonyl]-1H-pyrrolo[3,4-b]quinolin-3-one
  • MW: 484.589 | Formula: C29H32N4O3
  • H donors: 0 H acceptors: 3 LogP: 4.39 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)N1CCN(CC1)C(=O)c1c2CN(C(=O)c2nc2c1cccc2)C1CCCCC1
  • InChi: 1S/C29H32N4O3/c1-36-22-13-11-20(12-14-22)31-15-17-32(18-16-31)28(34)26-23-9-5-6-10-25(23)30-27-24(26)19-33(29(27)35)21-7-3-2-4-8-21/h5-6,9-14,21H,2-4,7-8,15-19H2,1H3
  • InChiKey: IQSZPOJUYGAVMK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-cyclohexyl-9-[[4-(4-methoxyphenyl)-1-piperazinyl]-oxomethyl]-1H-pyrrolo[3,4-b]quinolin-3-one
  • 2-cyclohexyl-9-[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl-1H-pyrrolo[3,4-b]quinolin-3-one
  • G211-0080
  • NCGC00129243-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No 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
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0012 0.0117 0.0117
Trichomonas vaginalis glucose transporter, putative 0.0032 0.0508 0.269
Echinococcus multilocularis JmjC domain containing protein 4 0.0012 0.0117 0.0117
Loa Loa (eye worm) hypothetical protein 0.0043 0.0738 0.2725
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.5324 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0169 0.0624
Echinococcus multilocularis calcium dependent protein kinase 0.0029 0.0463 0.0463
Mycobacterium ulcerans sugar-transport integral membrane protein SugI 0.0014 0.0169 0.2288
Echinococcus granulosus expressed protein 0.0006 0.0012 0.0012
Leishmania major hypothetical protein, conserved 0.0014 0.0169 0.2288
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0508 0.269
Trypanosoma brucei THT1 - hexose transporter, putative 0.0032 0.0508 0.6887
Schistosoma mansoni ferritin light chain 0.0006 0.0012 0.0012
Loa Loa (eye worm) hypothetical protein 0.0014 0.0169 0.0624
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0169 0.0894
Entamoeba histolytica hypothetical protein 0.0023 0.0334 0.6679
Plasmodium falciparum JmjC domain-containing protein, putative 0.0012 0.0117 0.014
Brugia malayi jmjC domain containing protein 0.0012 0.0117 0.0432
Mycobacterium ulcerans fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT 0.0014 0.0169 0.2288
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0102 0.189 0.189
Plasmodium falciparum major facilitator superfamily domain-containing protein, putative 0.0014 0.0169 0.0201
Schistosoma mansoni sugar transporter 0.0014 0.0169 0.0169
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0169 0.0894
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0102 0.189 0.189
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0169 0.0894
Trypanosoma brucei glucose transporter, putative 0.0032 0.0508 0.6887
Plasmodium falciparum calcium-dependent protein kinase 1 0.0031 0.0501 0.0597
Loa Loa (eye worm) hypothetical protein 0.0043 0.0738 0.2725
Echinococcus granulosus Sugar transporter ERD6 protein 0.0014 0.0169 0.0169
Schistosoma mansoni smad 0.001 0.008 0.008
Schistosoma mansoni hypothetical protein 0.0102 0.189 0.189
Echinococcus multilocularis lysine specific demethylase 6a 0.0012 0.0117 0.0117
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0738 0.1387
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0169 0.0894
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0013 0.0147 0.0276
Mycobacterium ulcerans bacterioferritin BfrA 0.0006 0.0012 0.0157
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0738 0.3906
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0738 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0117 0.0432
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0013 0.0133 0.0249
Echinococcus granulosus General substrate transporter 0.0088 0.1609 0.1609
Mycobacterium ulcerans acyl-CoA synthetase 0.0018 0.0235 0.3179
Giardia lamblia Hexose transporter 0.0014 0.0169 0.346
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0023 0.0334 0.4529
Trichomonas vaginalis sugar transport protein, putative 0.0014 0.0169 0.0894
Entamoeba histolytica protein kinase, putative 0.0031 0.0501 1
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0012 0.0117 0.1587
Schistosoma mansoni glucose transport protein 0.0102 0.189 0.189
Trichomonas vaginalis esterase, putative 0.0043 0.0738 0.3906
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0508 0.269
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0738 0.1387
Trypanosoma brucei glucose transporter, putative 0.0032 0.0508 0.6887
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0169 0.0894
Loa Loa (eye worm) jmjC domain-containing protein 0.0012 0.0117 0.0432
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0036 0.0588 0.7961
Leishmania major glucose transporter, lmgt2 0.0032 0.0508 0.6887
Trypanosoma brucei glucose transporter, putative 0.0032 0.0508 0.6887
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0018 0.0235 0.3179
Trypanosoma cruzi hexose transporter, putative 0.0014 0.0169 0.2288
Entamoeba histolytica acyl-coA synthetase, putative 0.0018 0.0235 0.4689
Toxoplasma gondii sugar transporter ST1 0.0014 0.0169 0.0305
Brugia malayi beta-lactamase family protein 0.0043 0.0738 0.2725
Schistosoma mansoni apoferritin-2 0.0006 0.0012 0.0012
Toxoplasma gondii ABC1 family protein 0.0043 0.0738 0.1331
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0738 1
Schistosoma mansoni microtubule-associated protein tau 0.0517 1 1
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0165 0.3124 0.5632
Loa Loa (eye worm) hypothetical protein 0.0013 0.0147 0.0542
Loa Loa (eye worm) major facilitator superfamily transporter 0.0014 0.0169 0.0624
Plasmodium falciparum acyl-CoA synthetase 0.0013 0.0147 0.0175
Brugia malayi hypothetical protein 0.0014 0.0169 0.0624
Schistosoma mansoni lysyl-tRNA synthetase 0.0023 0.0334 0.0334
Brugia malayi jmjC domain containing protein 0.0044 0.0749 0.2765
Trichomonas vaginalis glucose transporter, putative 0.0014 0.0169 0.0894
Plasmodium falciparum mitogen-activated protein kinase 2 0.0165 0.3124 0.3724
Trichomonas vaginalis conserved hypothetical protein 0.0102 0.189 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0044 0.0749 0.0749
Toxoplasma gondii transporter, major facilitator family protein 0.0014 0.0169 0.0305
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0738 1
Echinococcus multilocularis lysyl tRNA synthetase 0.0023 0.0334 0.0334
Echinococcus multilocularis synaptic vesicle 2 protein 0.0014 0.0169 0.0169
Toxoplasma gondii sugar transporter ST2 0.0014 0.0169 0.0305
Schistosoma mansoni sugar transporter 0.0014 0.0169 0.0169
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0169 0.0894
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0044 0.0749 0.0749
Echinococcus granulosus phd:f box containing protein 0.0012 0.0117 0.0117
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0031 0.0501 0.0501
Brugia malayi Major Facilitator Superfamily protein 0.0014 0.0169 0.0624
Brugia malayi MH2 domain containing protein 0.001 0.008 0.0294
Leishmania major glucose transporter/membrane transporter D2, putative 0.0032 0.0508 0.6887
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.2709 1
Mycobacterium leprae Probable lipase LipE 0.0043 0.0738 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0147 0.0542
Schistosoma mansoni ferritin 0.0006 0.0012 0.0012
Plasmodium falciparum proline--tRNA ligase 0.0036 0.0588 0.0701
Loa Loa (eye worm) beta-lactamase 0.0043 0.0738 0.2725
Loa Loa (eye worm) hypothetical protein 0.0012 0.0117 0.0432
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0031 0.0501 0.0501
Loa Loa (eye worm) Smad1 0.001 0.008 0.0294
Brugia malayi hypothetical protein 0.0014 0.0169 0.0624
Echinococcus granulosus smad 0.001 0.008 0.008
Schistosoma mansoni serine/threonine protein kinase 0.0031 0.0501 0.0501
Echinococcus multilocularis ferritin 0.0006 0.0012 0.0012
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0102 0.189 0.189
Leishmania major lysyl-tRNA synthetase, putative 0.0023 0.0334 0.4529
Brugia malayi Major Facilitator Superfamily protein 0.0014 0.0169 0.0624
Mycobacterium tuberculosis Conserved protein 0.0043 0.0738 0.1387
Giardia lamblia Prolyl-tRNA synthetase 0.0031 0.0488 1
Schistosoma mansoni smad1 5 8 and 0.001 0.008 0.008
Schistosoma mansoni smad1 5 8 and 0.001 0.008 0.008
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0235 0.0441
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0031 0.0501 0.0501
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0169 0.0894
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0738 0.0738
Trypanosoma brucei glucose transporter, putative 0.0032 0.0508 0.6887
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0169 0.0894
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0169 0.0894
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0031 0.0501 0.0501
Plasmodium vivax hexose transporter 0.0102 0.189 0.2253
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0738 0.1387
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0738 0.088
Schistosoma mansoni apoferritin-2 0.0006 0.0012 0.0012
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0169 0.0894
Schistosoma mansoni nuclear transcription factor X-box binding 1 (nfx1) 0.0014 0.0169 0.0169
Treponema pallidum bacterioferrin (TpF1) 0.0006 0.0012 0.1161
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0031 0.0501 0.0501
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0169 0.0894
Leishmania major 4-coumarate:coa ligase-like protein 0.0018 0.0235 0.3179
Trichomonas vaginalis sugar transporter, putative 0.0032 0.0508 0.269
Loa Loa (eye worm) hypothetical protein 0.0014 0.0169 0.0624
Echinococcus granulosus ferritin 0.0006 0.0012 0.0012
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0169 0.0894
Echinococcus granulosus Smad4 0.001 0.008 0.008
Echinococcus multilocularis expressed protein 0.0006 0.0012 0.0012
Trypanosoma cruzi hexose transporter, putative 0.0032 0.0508 0.6887
Schistosoma mansoni protein kinase 0.0031 0.0501 0.0501
Schistosoma mansoni protein phosphatase 2C 0.0012 0.0117 0.0117
Echinococcus multilocularis Smad4 0.001 0.008 0.008
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0036 0.0588 0.7961
Schistosoma mansoni lysyl-tRNA synthetase 0.0023 0.0334 0.0334
Loa Loa (eye worm) hypothetical protein 0.0012 0.0117 0.0432
Trypanosoma brucei glucose transporter 2A 0.0032 0.0508 0.6887
Echinococcus granulosus solute carrier family 22 0.0014 0.0169 0.0169
Trypanosoma brucei glucose transporter, putative 0.0032 0.0508 0.6887
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0031 0.0501 0.0501
Echinococcus multilocularis smad 0.001 0.008 0.008
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0738 0.3906
Loa Loa (eye worm) sugar transporter 0.0102 0.189 0.6977
Onchocerca volvulus 0.0043 0.0738 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0488 0.1802
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0169 0.0894
Brugia malayi Smad1 0.001 0.008 0.0294
Mycobacterium tuberculosis Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter) 0.0014 0.0169 0.0317
Echinococcus multilocularis solute carrier family 22 0.0014 0.0169 0.0169
Trichomonas vaginalis sugar transporter, putative 0.0032 0.0508 0.269
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0018 0.0235 0.3179
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0169 0.0894
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0031 0.0501 0.1848
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0031 0.0501 0.1848
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0023 0.0334 0.4529
Schistosoma mansoni ferritin light chain 0.0006 0.0012 0.0012
Chlamydia trachomatis proline--tRNA ligase 0.0011 0.01 0.2978
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.0019 0.0267 0.0501
Loa Loa (eye worm) hypothetical protein 0.0018 0.0235 0.0867
Loa Loa (eye worm) hypothetical protein 0.0014 0.0169 0.0624
Trichomonas vaginalis glucose transporter, putative 0.0032 0.0508 0.269
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0006 0.0012 0.0022
Leishmania major protein kinase, putative 0.0031 0.0501 0.678
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0169 0.0894
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0169 0.0894
Mycobacterium ulcerans lipase LipD 0.0043 0.0738 1
Brugia malayi MH1 domain containing protein 0.001 0.008 0.0294
Loa Loa (eye worm) sugar transporter 0.0014 0.0169 0.0624
Brugia malayi beta-lactamase 0.0043 0.0738 0.2725
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0031 0.0501 0.0597
Brugia malayi Sugar transporter family protein 0.0014 0.0169 0.0624
Schistosoma mansoni jumonji/arid domain-containing protein 0.0044 0.0749 0.0749
Loa Loa (eye worm) hypothetical protein 0.0018 0.0235 0.0867
Loa Loa (eye worm) hypothetical protein 0.0014 0.0169 0.0624
Trypanosoma cruzi hexose transporter 0.0032 0.0508 0.6887
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0169 0.0894
Schistosoma mansoni phosphatidylserine receptor 0.0012 0.0117 0.0117
Trypanosoma brucei THT1 - hexose transporter, putative 0.0032 0.0508 0.6887
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0169 0.0894
Schistosoma mansoni sugar transporter 0.0014 0.0169 0.0169
Loa Loa (eye worm) hypothetical protein 0.0014 0.0169 0.0624
Trypanosoma brucei glucose transporter 1E 0.0032 0.0508 0.6887
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0019 0.0267 0.0501
Mycobacterium tuberculosis Conserved protein 0.0043 0.0738 0.1387
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0738 0.0738
Plasmodium vivax lysine--tRNA ligase, putative 0.0023 0.0334 0.0399
Mycobacterium ulcerans acyl-CoA synthetase 0.0018 0.0235 0.3179
Loa Loa (eye worm) jmjC domain-containing protein 0.0044 0.0749 0.2765
Leishmania major glucose transporter, lmgt3 0.0032 0.0508 0.6887
Loa Loa (eye worm) hypothetical protein 0.0014 0.0169 0.0624
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0169 0.0894
Echinococcus multilocularis TGF beta signal transducer SmadC 0.001 0.008 0.008
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0169 0.0894
Leishmania major myo-inositol/proton symporter (MIT) 0.0014 0.0169 0.2288
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0102 0.189 0.189
Echinococcus granulosus jumonji domain containing 1A 0.0012 0.0117 0.0117
Echinococcus granulosus lysine specific demethylase 5A 0.0044 0.0749 0.0749
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0738 0.1387
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0169 0.0894
Trypanosoma brucei THT1 - hexose transporter, putative 0.0032 0.0508 0.6887
Brugia malayi beta-lactamase family protein 0.0043 0.0738 0.2725
Brugia malayi lysyl-tRNA synthetase 0.0023 0.0334 0.1234
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0018 0.0235 0.3179
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0738 0.0738
Trypanosoma cruzi glucose transporter, putative 0.0014 0.0169 0.2288
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0031 0.0488 0.0488
Schistosoma mansoni protein kinase 0.0031 0.0501 0.0501
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.0014 0.0169 1
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0169 0.0894
Plasmodium vivax calcium-dependent protein kinase, putative 0.0031 0.0501 0.0597
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0031 0.0501 0.0597
Giardia lamblia Lysyl-tRNA synthetase 0.0023 0.0334 0.6849
Loa Loa (eye worm) hypothetical protein 0.0014 0.0169 0.0624
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0031 0.0501 0.0501
Loa Loa (eye worm) hypothetical protein 0.0014 0.0169 0.0624
Brugia malayi major facilitator superfamily protein 0.0014 0.0169 0.0624
Loa Loa (eye worm) hypothetical protein 0.0043 0.0738 0.2725
Loa Loa (eye worm) hypothetical protein 0.0014 0.0169 0.0624
Loa Loa (eye worm) hypothetical protein 0.0025 0.0376 0.1386
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0169 0.0894
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0738 0.0738
Giardia lamblia Sugar-proton symporter 0.0014 0.0169 0.346
Schistosoma mansoni glucose transporter 0.0014 0.0169 0.0169
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0018 0.0235 0.3179
Echinococcus multilocularis mothers against decapentaplegic 5 0.001 0.008 0.008
Brugia malayi Sugar transporter family protein 0.0014 0.0169 0.0624
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0102 0.189 0.189
Echinococcus granulosus solute carrier family 22 0.0014 0.0169 0.0169
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0012 0.0117 0.0211
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0031 0.0488 0.1802
Loa Loa (eye worm) bifunctional aminoacyl-tRNA synthetase 0.0013 0.0134 0.0495
Loa Loa (eye worm) hypothetical protein 0.0014 0.0169 0.0624
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0169 0.0894
Echinococcus multilocularis solute carrier family 22 0.0014 0.0169 0.0169
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0738 0.1387
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0018 0.0235 0.0441
Brugia malayi major facilitator superfamily protein 0.0014 0.0169 0.0624
Schistosoma mansoni protein kinase 0.0031 0.0501 0.0501
Plasmodium falciparum calcium-dependent protein kinase 2 0.0031 0.0501 0.0597
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0738 0.1387
Brugia malayi jmjC domain containing protein 0.0012 0.0117 0.0432
Plasmodium falciparum protein kinase 6 0.0434 0.8388 1
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0169 0.0894
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.0235 0.3179
Schistosoma mansoni jumonji domain containing protein 0.0044 0.0749 0.0749
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0738 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0738 0.3906
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0006 0.0012 0.0684
Entamoeba histolytica acyl-CoA synthetase, putative 0.0018 0.0235 0.4689
Schistosoma mansoni jumonji domain containing protein 0.0012 0.0117 0.0117
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0031 0.0501 0.0903
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0031 0.0501 0.1848
Treponema pallidum prolyl-tRNA synthetase 0.0011 0.01 1
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0036 0.0588 0.106
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0012 0.0117 0.1587
Echinococcus multilocularis Sugar transporter ERD6 protein 0.0014 0.0169 0.0169
Echinococcus multilocularis General substrate transporter 0.0088 0.1609 0.1609
Brugia malayi Major Facilitator Superfamily protein 0.0014 0.0169 0.0624
Leishmania major glucose transporter, lmgt1 0.0032 0.0508 0.6887
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0031 0.0488 0.0488
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0006 0.0012 0.0157
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0012 0.0117 0.1587
Mycobacterium ulcerans sugar transporter 0.0014 0.0169 0.2288
Loa Loa (eye worm) hypothetical protein 0.0043 0.0738 0.2725
Echinococcus multilocularis lysine specific demethylase 5A 0.0044 0.0749 0.0749
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0044 0.0749 0.0749
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0031 0.0488 0.9752
Loa Loa (eye worm) hypothetical protein 0.0014 0.0169 0.0624
Plasmodium vivax proline--tRNA ligase, putative 0.0036 0.0588 0.0701
Schistosoma mansoni glucose transport protein 0.0102 0.189 0.189
Toxoplasma gondii protein kinase, putative 0.0289 0.5546 1
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0169 0.0894
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0738 0.1387
Loa Loa (eye worm) hypothetical protein 0.0014 0.0169 0.0624
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0023 0.0334 0.4529
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0102 0.189 0.189
Trichomonas vaginalis CAMK family protein kinase 0.0031 0.0501 0.2648
Trichomonas vaginalis myo-inositol transporter, putative 0.0014 0.0169 0.0894
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0031 0.0501 0.0501
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0165 0.3124 0.3724
Echinococcus granulosus lysyl tRNA synthetase 0.0023 0.0334 0.0334
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0031 0.0501 0.678
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0031 0.0488 0.2583
Echinococcus granulosus mothers against decapentaplegic 5 0.001 0.008 0.008
Trichomonas vaginalis ferritin, putative 0.0006 0.0012 0.0061
Brugia malayi AMP-binding enzyme family protein 0.0018 0.0235 0.0867
Trypanosoma cruzi hexose transporter, putative 0.0032 0.0508 0.6887
Mycobacterium tuberculosis Probable conserved integral membrane transport protein 0.0014 0.0169 0.0317
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0102 0.189 0.189
Entamoeba histolytica acyl-CoA synthetase, putative 0.0018 0.0235 0.4689
Echinococcus multilocularis jumonji domain containing 1A 0.0012 0.0117 0.0117
Echinococcus multilocularis phd:f box containing protein 0.0012 0.0117 0.0117
Loa Loa (eye worm) hypothetical protein 0.0031 0.0488 0.1802
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0012 0.0117 0.0117
Schistosoma mansoni smad1 5 8 and 0.001 0.008 0.008
Onchocerca volvulus 0.0018 0.0235 0.1156
Brugia malayi jmjC domain containing protein 0.0012 0.0117 0.0432
Echinococcus multilocularis solute carrier family 22 0.0014 0.0169 0.0169
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0169 0.0894
Loa Loa (eye worm) hypothetical protein 0.0013 0.0147 0.0542
Loa Loa (eye worm) hypothetical protein 0.0014 0.0169 0.0624
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0031 0.0501 0.0903
Loa Loa (eye worm) jmjC domain-containing protein 0.0012 0.0117 0.0432
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0013 0.0133 0.0249
Loa Loa (eye worm) hypothetical protein 0.0043 0.0738 0.2725
Brugia malayi jmjC domain containing protein 0.0044 0.0749 0.2765
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0023 0.0334 0.4529
Loa Loa (eye worm) hypothetical protein 0.0014 0.0169 0.0624
Brugia malayi Cam kinase protein 1 0.0031 0.0501 0.1848
Mycobacterium ulcerans beta-lactamase 0.0043 0.0738 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0013 0.0133 0.0249
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0013 0.0133 0.0249
Plasmodium vivax CDK-related protein kinase 6, putative 0.0434 0.8388 1
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0036 0.0588 0.7961
Plasmodium falciparum lysine--tRNA ligase 0.0023 0.0334 0.0399
Leishmania major hypothetical protein, conserved 0.0012 0.0117 0.1587
Schistosoma mansoni sugar transporter 0.0014 0.0169 0.0169
Mycobacterium ulcerans hypothetical protein 0.0018 0.0235 0.3179
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0102 0.189 0.189
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0169 0.0894
Mycobacterium ulcerans integral membrane transport protein 0.0014 0.0169 0.2288
Onchocerca volvulus 0.0043 0.0738 1
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0031 0.0501 0.0903
Chlamydia trachomatis lysine--tRNA ligase 0.0023 0.0334 1
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0031 0.0488 0.0488
Schistosoma mansoni ferritin 0.0006 0.0012 0.0012
Brugia malayi Sugar transporter family protein 0.0102 0.189 0.6977
Mycobacterium ulcerans bacterioferritin BfrB 0.0006 0.0012 0.0157
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0036 0.0588 0.7961
Leishmania major 4-coumarate:coa ligase-like protein 0.0018 0.0235 0.3179
Brugia malayi MH2 domain containing protein 0.001 0.008 0.0294
Echinococcus granulosus solute carrier family 22 0.0014 0.0169 0.0169
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0023 0.0334 0.1769
Mycobacterium ulcerans hypothetical protein 0.0043 0.0738 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0738 0.3906
Trypanosoma brucei glucose transporter, putative 0.0032 0.0508 0.6887
Trypanosoma brucei glucose transporter, putative 0.0032 0.0508 0.6887
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0738 0.3906
Echinococcus granulosus solute carrier family 22 0.0014 0.0169 0.0169
Echinococcus granulosus TGF beta signal transducer SmadC 0.001 0.008 0.008
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.002 0.0279 0.1477
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0031 0.0488 0.1802
Trypanosoma cruzi hexose transporter, putative 0.0017 0.0227 0.3073
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0006 0.0012 0.0022
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0738 1
Trypanosoma cruzi hexose transporter, putative 0.0032 0.0508 0.6887
Schistosoma mansoni ferritin 0.0006 0.0012 0.0012
Trypanosoma cruzi sugar transporter, putative 0.0014 0.0169 0.2288
Toxoplasma gondii lysine-tRNA ligase 0.0023 0.0334 0.0603
Loa Loa (eye worm) hypothetical protein 0.0043 0.0738 0.2725
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0023 0.0334 0.4529
Loa Loa (eye worm) hypothetical protein 0.0031 0.0501 0.1848
Brugia malayi jmjC domain containing protein 0.0012 0.0117 0.0432
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0738 1
Echinococcus granulosus synaptic vesicle 2 protein 0.0014 0.0169 0.0169
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0738 0.2725
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0031 0.0488 0.6612
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0013 0.0147 0.4394
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0012 0.0117 0.0117
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0031 0.0488 0.0488
Brugia malayi MH1 domain containing protein 0.001 0.008 0.0294
Loa Loa (eye worm) hypothetical protein 0.0013 0.0147 0.0542
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0169 0.0894
Mycobacterium leprae Probable lysyl-tRNA synthase LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0019 0.0267 0.3616
Trypanosoma brucei glucose transporter, putative 0.0032 0.0508 0.6887
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0169 0.0894
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0169 0.0894
Mycobacterium ulcerans acyl-CoA synthetase 0.0018 0.0235 0.3179
Brugia malayi hypothetical protein 0.0014 0.0169 0.0624
Loa Loa (eye worm) major facilitator superfamily transporter 0.0014 0.0169 0.0624
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0169 0.0894
Echinococcus granulosus lysine specific demethylase 6a 0.0012 0.0117 0.0117
Brugia malayi MH2 domain containing protein 0.0144 0.2709 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0147 0.0542
Echinococcus granulosus JmjC domain containing protein 4 0.0012 0.0117 0.0117
Entamoeba histolytica protein kinase, putative 0.0031 0.0501 1
Trichomonas vaginalis sugar transporter, putative 0.0032 0.0508 0.269
Mycobacterium ulcerans prolyl-tRNA synthetase 0.0011 0.01 0.1349
Echinococcus multilocularis microtubule associated protein 2 0.0517 1 1
Echinococcus granulosus calcium dependent protein kinase 0.0029 0.0463 0.0463
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0018 0.0235 0.3179
Brugia malayi AMP-binding enzyme family protein 0.0018 0.0235 0.0867
Plasmodium falciparum hexose transporter 0.0102 0.189 0.2253
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.008 0.008
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0169 0.0894
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.2709 1
Schistosoma mansoni ferritin 0.0006 0.0012 0.0012
Trypanosoma brucei sugar transporter, putative 0.0014 0.0169 0.2288
Plasmodium vivax sugar transporter, putative 0.0014 0.0169 0.0201
Toxoplasma gondii facilitative glucose transporter GT1 0.0102 0.189 0.3408
Onchocerca volvulus 0.0043 0.0738 1
Brugia malayi AMP-binding enzyme family protein 0.0018 0.0235 0.0867
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.008 0.0294
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0169 0.0894
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0738 0.2725
Loa Loa (eye worm) jmjC domain-containing protein 0.0012 0.0117 0.0432
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.008 0.0294
Plasmodium vivax acyl-CoA synthetase, putative 0.0013 0.0147 0.0175
Leishmania major hypothetical protein, conserved 0.0043 0.0738 1
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0036 0.0588 0.7961
Echinococcus multilocularis solute carrier family 22 0.0014 0.0169 0.0169
Mycobacterium tuberculosis Conserved protein 0.0043 0.0738 0.1387
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0169 0.0894
Trypanosoma brucei myo-inositol/proton symporter (MIT) 0.0014 0.0169 0.2288
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0031 0.0501 0.0597
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0169 0.0894
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0169 0.0894
Schistosoma mansoni glucose transport protein 0.0102 0.189 0.189
Toxoplasma gondii sugar transporter ST3 0.0014 0.0169 0.0305
Loa Loa (eye worm) hypothetical protein 0.0023 0.0334 0.1234
Leishmania major 4-coumarate:coa ligase-like protein 0.0018 0.0235 0.3179
Plasmodium falciparum calcium-dependent protein kinase 3 0.0031 0.0501 0.0597
Plasmodium falciparum calcium-dependent protein kinase 5 0.0031 0.0501 0.0597
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0169 0.0894
Schistosoma mansoni phd/f-box containing protein 0.0012 0.0117 0.0117
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0013 0.0147 0.199
Plasmodium vivax JmjC domain containing protein 0.0012 0.0117 0.014
Loa Loa (eye worm) hypothetical protein 0.0018 0.0235 0.0867
Schistosoma mansoni Smad4 0.001 0.008 0.008
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0169 0.0894
Plasmodium falciparum calcium-dependent protein kinase 4 0.0031 0.0501 0.0597
Plasmodium falciparum protein kinase 7 0.0289 0.5546 0.6612
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0169 0.0894
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0012 0.0117 0.0211

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.5119 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) = 3.5481 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) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.