Detailed information for compound 38172

Basic information

Technical information
  • TDR Targets ID: 38172
  • Name: 2-amino-3-(2-aminophenyl)sulfonylpropanoic ac id
  • MW: 244.268 | Formula: C9H12N2O4S
  • H donors: 3 H acceptors: 4 LogP: -2.56 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C(CS(=O)(=O)c1ccccc1N)N
  • InChi: 1S/C9H12N2O4S/c10-6-3-1-2-4-8(6)16(14,15)5-7(11)9(12)13/h1-4,7H,5,10-11H2,(H,12,13)
  • InChiKey: JJUXYMMPJKOKBD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-amino-3-(2-aminophenyl)sulfonyl-propanoic acid
  • 3-(2-aminophenyl)sulfonyl-2-azanyl-propanoic acid
  • 2-amino-3-(2-aminophenyl)sulfonyl-propionic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens kynureninase Starlite/ChEMBL References
Rattus norvegicus Kynureninase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus Pyridoxal phosphate dependent transferase major region subdomain 1 Get druggable targets OG5_129469 All targets in OG5_129469
Leishmania infantum kynureninase, putative Get druggable targets OG5_129469 All targets in OG5_129469
Candida albicans possible L-kynurenine hydrolase Get druggable targets OG5_129469 All targets in OG5_129469
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129469 All targets in OG5_129469
Brugia malayi hypothetical protein Get druggable targets OG5_129469 All targets in OG5_129469
Trypanosoma cruzi kynureninase, putative Get druggable targets OG5_129469 All targets in OG5_129469
Echinococcus multilocularis Pyridoxal phosphate dependent transferase, major region, subdomain 1 Get druggable targets OG5_129469 All targets in OG5_129469
Leishmania major kynureninase, putative Get druggable targets OG5_129469 All targets in OG5_129469
Trypanosoma congolense kynureninase, putative Get druggable targets OG5_129469 All targets in OG5_129469
Candida albicans possible L-kynurenine hydrolase Get druggable targets OG5_129469 All targets in OG5_129469
Trypanosoma brucei kynureninase, putative Get druggable targets OG5_129469 All targets in OG5_129469
Leishmania mexicana kynureninase, putative Get druggable targets OG5_129469 All targets in OG5_129469
Trypanosoma brucei gambiense kynureninase, putative Get druggable targets OG5_129469 All targets in OG5_129469
Leishmania donovani kynureninase, putative Get druggable targets OG5_129469 All targets in OG5_129469
Brugia malayi FLYWCH zinc finger domain containing protein Get druggable targets OG5_129469 All targets in OG5_129469
Brugia malayi kynureninase family protein Get druggable targets OG5_129469 All targets in OG5_129469
Trypanosoma brucei kynureninase, putative Get druggable targets OG5_129469 All targets in OG5_129469
Loa Loa (eye worm) kynureninase Get druggable targets OG5_129469 All targets in OG5_129469
Schistosoma japonicum ko:K01556 kynureninase [EC3.7.1.3], putative Get druggable targets OG5_129469 All targets in OG5_129469
Schistosoma mansoni 3-hydroxy-kinureninase Get druggable targets OG5_129469 All targets in OG5_129469
Trypanosoma cruzi kynureninase, putative Get druggable targets OG5_129469 All targets in OG5_129469
Leishmania braziliensis kynureninase, putative Get druggable targets OG5_129469 All targets in OG5_129469
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Kynureninase   464 aa 453 aa 52.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0469 0.1104 0.1102
Onchocerca volvulus 0.0036 0.0043 0.0654
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.1924 0.4668 1
Brugia malayi Pre-SET motif family protein 0.0236 0.0533 0.0531
Schistosoma mansoni cellular tumor antigen P53 0.0103 0.0208 0.0206
Echinococcus granulosus Pyridoxal phosphate dependent transferase major region subdomain 1 0.0176 0.0386 0.0384
Loa Loa (eye worm) hypothetical protein 0.0024 0.0014 0.0012
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0045 0.0043
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0041 0.0039
Echinococcus granulosus microtubule associated protein 2 0.2211 0.5372 0.5371
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0043 0.0091
Brugia malayi beta-lactamase 0.0036 0.0043 0.0041
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0469 0.1104 0.1102
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.4101 1 1
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.1924 0.4668 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0034 0.0038 0.0082
Leishmania major kynureninase, putative 0.0179 0.0394 0.0392
Loa Loa (eye worm) hypothetical protein 0.0037 0.0045 0.0043
Loa Loa (eye worm) MH2 domain-containing protein 0.0043 0.0061 0.0059
Loa Loa (eye worm) MH2 domain-containing protein 0.0019 0.0003 0.0001
Loa Loa (eye worm) hypothetical protein 0.0036 0.0043 0.0041
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0043 0.0091
Loa Loa (eye worm) beta-lactamase 0.0036 0.0043 0.0041
Echinococcus granulosus Niemann Pick C1 protein 0.1688 0.4091 0.409
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0043 0.0091
Trichomonas vaginalis conserved hypothetical protein 0.1688 0.4091 0.8764
Loa Loa (eye worm) hypothetical protein 0.0028 0.0024 0.0022
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0101 0.0203 0.0201
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0037 0.0045 0.0043
Trichomonas vaginalis set domain proteins, putative 0.0268 0.0612 0.1311
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0038 0.0082
Echinococcus granulosus mothers against decapentaplegic 2 0.0019 0.0003 0.0001
Echinococcus multilocularis GPCR, family 2 0.0148 0.0319 0.0317
Schistosoma mansoni smad1 5 8 and 0.0043 0.0061 0.0059
Onchocerca volvulus 0.0028 0.0024 0.0355
Brugia malayi latrophilin 2 splice variant baaae 0.0321 0.0741 0.0739
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0101 0.0203 0.0201
Echinococcus multilocularis smad 0.0043 0.0061 0.0059
Loa Loa (eye worm) MH2 domain-containing protein 0.0633 0.1505 0.1504
Echinococcus multilocularis lamin 0.0028 0.0024 0.0022
Loa Loa (eye worm) hypothetical protein 0.0469 0.1104 0.1102
Mycobacterium tuberculosis Conserved protein 0.0036 0.0043 0.0796
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0043 0.0041
Echinococcus granulosus lamin 0.0028 0.0024 0.0022
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0024 0.0022
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0037 0.0045 0.0666
Loa Loa (eye worm) histone methyltransferase 0.0047 0.0072 0.007
Mycobacterium tuberculosis Conserved protein 0.0036 0.0043 0.0796
Brugia malayi MH1 domain containing protein 0.0024 0.0014 0.0012
Echinococcus granulosus Smad4 0.0043 0.0061 0.0059
Echinococcus granulosus mothers against decapentaplegic 5 0.0043 0.0061 0.0059
Trypanosoma cruzi kynureninase, putative 0.0179 0.0394 0.0392
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0034 0.0038 0.0082
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0148 0.0319 0.0317
Schistosoma mansoni hypothetical protein 0.0171 0.0373 0.0371
Loa Loa (eye worm) hypothetical protein 0.0028 0.0023 0.0021
Entamoeba histolytica Rad52/22 family double-strand break repair protein, putative 0.0104 0.0209 0.2087
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0101 0.0203 0.0201
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0043 0.0061 0.0059
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.1688 0.4091 0.409
Schistosoma mansoni smad1 5 8 and 0.0043 0.0061 0.0059
Echinococcus granulosus dnaJ subfamily B 0.2125 0.516 0.5159
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0043 0.9384
Echinococcus multilocularis Pyridoxal phosphate dependent transferase, major region, subdomain 1 0.0176 0.0386 0.0384
Loa Loa (eye worm) transcription factor SMAD2 0.0633 0.1505 0.1504
Echinococcus multilocularis Niemann Pick C1 protein 0.1688 0.4091 0.409
Schistosoma mansoni lamin 0.0028 0.0024 0.0022
Echinococcus multilocularis musashi 0.0028 0.0024 0.0022
Echinococcus granulosus histone lysine methyltransferase setb 0.0037 0.0045 0.0043
Echinococcus multilocularis mothers against decapentaplegic 6 0.0019 0.0003 0.0001
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0038 0.0082
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0041 0.0039
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0038 0.0049 0.0047
Trichomonas vaginalis esterase, putative 0.0036 0.0043 0.0091
Brugia malayi FLYWCH zinc finger domain containing protein 0.0176 0.0386 0.0384
Entamoeba histolytica DNA repair and recombination protein RAD52, putative 0.0364 0.0847 1
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.1924 0.4668 1
Schistosoma mansoni lamin 0.0028 0.0024 0.0022
Onchocerca volvulus 0.0152 0.0327 0.5319
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0034 0.0038 0.0082
Trypanosoma brucei kynureninase, putative 0.0179 0.0394 0.0392
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.4101 1 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0148 0.0319 0.0317
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0038 0.0082
Echinococcus granulosus cpg binding protein 0.0158 0.0342 0.034
Echinococcus multilocularis mothers against decapentaplegic 5 0.0043 0.0061 0.0059
Brugia malayi beta-lactamase family protein 0.0036 0.0043 0.0041
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0227 0.0511 1
Onchocerca volvulus 0.0268 0.0612 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.0208 0.0206
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0038 0.0082
Schistosoma mansoni smad1 5 8 and 0.0043 0.0061 0.0059
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0034 0.0038 0.0082
Entamoeba histolytica hypothetical protein 0.0104 0.0209 0.2087
Brugia malayi MH2 domain containing protein 0.0043 0.0061 0.0059
Loa Loa (eye worm) hypothetical protein 0.0019 0.0003 0.0001
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0101 0.0203 0.0201
Loa Loa (eye worm) hypothetical protein 0.0148 0.0319 0.0317
Onchocerca volvulus 0.0037 0.0045 0.0697
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0045 0.0043
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase 0.4101 1 1
Schistosoma mansoni hypothetical protein 0.0148 0.0319 0.0317
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0041 0.0039
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0043 0.0041
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0043 0.0091
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0038 0.0049 0.0047
Brugia malayi hypothetical protein 0.0176 0.0386 0.0384
Echinococcus multilocularis neuropeptide receptor A26 0.0449 0.1054 0.1052
Echinococcus granulosus intermediate filament protein 0.0028 0.0024 0.0022
Echinococcus multilocularis cpg binding protein 0.0158 0.0342 0.034
Schistosoma mansoni hypothetical protein 0.0148 0.0319 0.0317
Onchocerca volvulus 0.0028 0.0024 0.0355
Loa Loa (eye worm) nuclear factor I 0.0024 0.0014 0.0012
Echinococcus granulosus neuropeptide receptor A26 0.0449 0.1054 0.1052
Echinococcus multilocularis microtubule associated protein 2 0.2211 0.5372 0.5371
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0043 0.0041
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0043 0.0796
Loa Loa (eye worm) hypothetical protein 0.0036 0.0043 0.0041
Mycobacterium tuberculosis Conserved protein 0.0036 0.0043 0.0796
Brugia malayi Latrophilin receptor protein 2 0.0148 0.0319 0.0317
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.4101 1 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0043 0.0061 0.0059
Leishmania major hypothetical protein, conserved 0.0036 0.0043 0.0041
Brugia malayi beta-lactamase family protein 0.0036 0.0043 0.0041
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0043 0.0041
Loa Loa (eye worm) hypothetical protein 0.0176 0.0386 0.0384
Brugia malayi intermediate filament protein 0.0028 0.0024 0.0022
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0038 0.0082
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0101 0.0203 0.0201
Brugia malayi MH1 domain containing protein 0.0043 0.0061 0.0059
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.1603 0.388 0.3879
Brugia malayi MH2 domain containing protein 0.0633 0.1505 0.1504
Brugia malayi hypothetical protein 0.0152 0.0327 0.0325
Onchocerca volvulus 0.0149 0.0321 0.5225
Loa Loa (eye worm) hypothetical protein 0.0152 0.0327 0.0325
Trypanosoma brucei kynureninase, putative 0.0179 0.0394 0.0392
Brugia malayi MH2 domain containing protein 0.0043 0.0061 0.0059
Schistosoma mansoni Smad4 0.0043 0.0061 0.0059
Echinococcus granulosus smad 0.0043 0.0061 0.0059
Echinococcus multilocularis protein patched 0.1688 0.4091 0.409
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0148 0.0319 0.0317
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0101 0.0203 0.0201
Schistosoma mansoni hypothetical protein 0.0148 0.0319 0.0317
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0037 0.0045 0.0043
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0043 0.0796
Echinococcus granulosus lamin dm0 0.0028 0.0024 0.0022
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0043 0.5
Loa Loa (eye worm) hypothetical protein 0.1688 0.4091 0.409
Schistosoma mansoni microtubule-associated protein tau 0.2211 0.5372 0.5371
Echinococcus multilocularis sterol regulatory element binding protein 0.1688 0.4091 0.409
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0043 0.0041
Schistosoma mansoni cpg binding protein 0.0158 0.0342 0.034
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0043 0.0796
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0043 0.0091
Schistosoma mansoni hypothetical protein 0.2125 0.516 0.5159
Brugia malayi hypothetical protein 0.0035 0.0041 0.0039
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0318 0.0734 0.0732
Loa Loa (eye worm) hypothetical protein 0.0036 0.0043 0.0041
Echinococcus granulosus mixed lineage leukemia protein mll 0.0038 0.0049 0.0047
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.4101 1 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.0034 0.0032
Echinococcus granulosus geminin 0.0171 0.0373 0.0371
Echinococcus granulosus TGF beta signal transducer SmadC 0.0043 0.0061 0.0059
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0043 0.0041
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0101 0.0203 0.0201
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0023 0.0011 0.0009
Brugia malayi MH1 domain containing protein 0.0043 0.0061 0.0059
Brugia malayi F/Y-rich N-terminus family protein 0.0047 0.007 0.0068
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.4101 1 1
Schistosoma mansoni hypothetical protein 0.0035 0.0041 0.0039
Schistosoma mansoni Smad4 0.0019 0.0003 0.0001
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0024 0.0022
Brugia malayi MH1 domain containing protein 0.0024 0.0014 0.0012
Giardia lamblia 3-hydroxy-3-methylglutaryl-coenzyme A reductase 0.1924 0.4668 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0043 0.0061 0.0059
Echinococcus granulosus Protein patched homolog 1 0.1688 0.4091 0.409
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0101 0.0203 0.0201
Echinococcus multilocularis Smad4 0.0043 0.0061 0.0059
Loa Loa (eye worm) hypothetical protein 0.0036 0.0043 0.0041
Brugia malayi CHE-14 protein 0.1688 0.4091 0.409
Trichomonas vaginalis helicase, putative 0.0034 0.0038 0.0082
Schistosoma mansoni intermediate filament proteins 0.0028 0.0024 0.0022
Schistosoma mansoni smad 0.0019 0.0003 0.0001
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0101 0.0203 0.0201
Onchocerca volvulus 0.0036 0.0043 0.0654
Schistosoma mansoni smad 0.0043 0.0061 0.0059
Schistosoma mansoni hypothetical protein 0.0171 0.0373 0.0371
Loa Loa (eye worm) kynureninase 0.0179 0.0394 0.0392
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0034 0.0038 0.0082
Mycobacterium leprae Probable lipase LipE 0.0036 0.0043 0.5
Brugia malayi MH2 domain containing protein 0.0019 0.0003 0.0001
Schistosoma mansoni patched 1 0.1688 0.4091 0.409
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0043 0.0796
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0047 0.0072 0.007
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0043 0.0041
Echinococcus granulosus tumor protein p63 0.0705 0.1683 0.1681
Schistosoma mansoni Smad4 0.0019 0.0003 0.0001
Brugia malayi CXXC zinc finger family protein 0.0149 0.0321 0.0319
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0045 0.0043
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0038 0.0082
Trypanosoma cruzi kynureninase, putative 0.0179 0.0394 0.0392
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 0.4101 1 1
Echinococcus multilocularis geminin 0.0171 0.0373 0.0371
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0043 0.0041
Loa Loa (eye worm) hypothetical protein 0.0036 0.0043 0.0041
Schistosoma mansoni niemann-pick C1 (NPC1) 0.1688 0.4091 0.409
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0038 0.0082
Toxoplasma gondii histone lysine methyltransferase SET1 0.0284 0.0651 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0034 0.0038 0.0082
Echinococcus granulosus neuropeptide s receptor 0.0449 0.1054 0.1052
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0047 0.0072 0.007
Echinococcus multilocularis lamin dm0 0.0028 0.0024 0.0022
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0037 0.0045 0.0043
Loa Loa (eye worm) Smad1 0.0043 0.0061 0.0059
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0043 0.0796
Loa Loa (eye worm) latrophilin receptor protein 2 0.0148 0.0319 0.0317
Echinococcus multilocularis dnaJ subfamily B 0.2125 0.516 0.5159
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0038 0.0082
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0043 0.0796
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0148 0.0319 0.0317
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0236 0.0533 0.0531
Loa Loa (eye worm) hypothetical protein 0.4101 1 1
Echinococcus multilocularis protein dispatched 1 0.1688 0.4091 0.409
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0038 0.0082
Onchocerca volvulus 0.0036 0.0043 0.0654
Plasmodium vivax SET domain protein, putative 0.0037 0.0045 1
Schistosoma mansoni hypothetical protein 0.0321 0.0741 0.0739
Loa Loa (eye worm) MH1 domain-containing protein 0.0019 0.0003 0.0001
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0038 0.0049 0.0047
Brugia malayi Calcitonin receptor-like protein seb-1 0.0469 0.1104 0.1102
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0034 0.0038 0.0082
Echinococcus multilocularis tumor protein p63 0.0705 0.1683 0.1681
Schistosoma mansoni hypothetical protein 0.0148 0.0319 0.0317
Loa Loa (eye worm) CXXC zinc finger family protein 0.0149 0.0321 0.0319
Onchocerca volvulus 0.0103 0.0208 0.3376
Brugia malayi Pre-SET motif family protein 0.0037 0.0045 0.0043
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0019 0.0002 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.0043 0.0041
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0043 0.0796
Schistosoma mansoni cpg binding protein 0.0158 0.0342 0.034
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0038 0.0049 0.0047
Echinococcus granulosus mothers against decapentaplegic 6 0.0019 0.0003 0.0001
Toxoplasma gondii ABC1 family protein 0.0036 0.0043 0.0625
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0043 0.0041
Schistosoma mansoni 3-hydroxy-kinureninase 0.0179 0.0394 0.0392
Echinococcus granulosus sterol regulatory element binding protein 0.1688 0.4091 0.409
Brugia malayi Smad1 0.0043 0.0061 0.0059
Loa Loa (eye worm) hypothetical protein 0.0321 0.0741 0.0739
Brugia malayi mothers against decapentaplegic homolog 3 0.0019 0.0003 0.0001
Schistosoma mansoni cpg binding protein 0.0149 0.0321 0.0319
Echinococcus multilocularis mothers against decapentaplegic 2 0.0019 0.0003 0.0001
Brugia malayi kynureninase family protein 0.0176 0.0386 0.0384
Echinococcus multilocularis neuropeptide s receptor 0.0449 0.1054 0.1052
Echinococcus granulosus GPCR family 2 0.0148 0.0319 0.0317
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0148 0.0319 0.0317
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0024 0.0022
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.4101 1 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0034 0.0038 0.0082

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 36 uM Compound was tested for the inhibition of mammalian kynureninase in rat liver ChEMBL. 9871640
IC50 (binding) = 36 uM Compound was tested for the inhibition of mammalian kynureninase in rat liver ChEMBL. 9871640
Ki (binding) = 0.07 uM Compound was tested for the binding affinity against bacterial kynureninase ChEMBL. 9871640
Ki (binding) = 0.07 uM Compound was tested for the binding affinity against bacterial kynureninase ChEMBL. 9871640
Ki (binding) = 18 uM Compound was tested for the binding affinity against kynureninase in rat liver ChEMBL. 9871640
Ki (binding) = 18 uM Compound was tested for the binding affinity against kynureninase in rat liver ChEMBL. 9871640

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.

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