Detailed information for compound 1512678

Basic information

Technical information
  • TDR Targets ID: 1512678
  • Name: N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydr o-4H-indazol-4-yl]-5-methylpyrazine-2-carboxa mide
  • MW: 379.431 | Formula: C21H22FN5O
  • H donors: 1 H acceptors: 4 LogP: 3.01 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cccc(c1)n1ncc2c1CC(C)(C)CC2NC(=O)c1cnc(cn1)C
  • InChi: 1S/C21H22FN5O/c1-13-10-24-18(12-23-13)20(28)26-17-8-21(2,3)9-19-16(17)11-25-27(19)15-6-4-5-14(22)7-15/h4-7,10-12,17H,8-9H2,1-3H3,(H,26,28)
  • InChiKey: LPHMBCLGEDGGAS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-methyl-pyrazine-2-carboxamide
  • N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-methyl-2-pyrazinecarboxamide
  • N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-methyl-pyrazinamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA Get druggable targets OG5_128068 All targets in OG5_128068
Candida albicans second version of adenosylmethionine-8-amino-7-oxononanoate aminotransferase Get druggable targets OG5_128068 All targets in OG5_128068
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_128068 All targets in OG5_128068
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA Get druggable targets OG5_128068 All targets in OG5_128068
Candida albicans second version of adenosylmethionine-8-amino-7-oxononanoate aminotransferase Get druggable targets OG5_128068 All targets in OG5_128068
Candida albicans adenosylmethionine-8-amino-7-oxononanoate aminotransferase similar to that found in bacteria Get druggable targets OG5_128068 All targets in OG5_128068
Candida albicans adenosylmethionine-8-amino-7-oxononanoate aminotransferase similar to that found in bacteria Get druggable targets OG5_128068 All targets in OG5_128068
Mycobacterium tuberculosis Probable aminotransferase Get druggable targets OG5_128068 All targets in OG5_128068
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase Get druggable targets OG5_128068 All targets in OG5_128068
Trichomonas vaginalis acetylornithine aminotransferase, putative Get druggable targets OG5_128068 All targets in OG5_128068
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium leprae Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 437 aa 397 aa 28.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni smad1 5 8 and 0.0013 0.0097 0.0164
Schistosoma mansoni hypothetical protein 0.0012 0.0076 0.0129
Loa Loa (eye worm) hypothetical protein 0.0104 0.1477 0.5142
Toxoplasma gondii NADPH-glutathione reductase 0.0013 0.0088 0.0083
Echinococcus multilocularis mothers against decapentaplegic 5 0.0013 0.0097 0.0164
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0012 0.0076 0.0129
Echinococcus granulosus dna polymerase kappa 0.0019 0.0179 0.0303
Plasmodium vivax ornithine aminotransferase, putative 0.0026 0.0293 0.1546
Brugia malayi beta-lactamase family protein 0.0104 0.1477 0.5142
Echinococcus granulosus neuropeptide receptor A26 0.035 0.5229 0.8828
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0878 0.1482
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0024 0.0255 0.043
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0013 0.0088 0.0083
Trichomonas vaginalis D-aminoacylase, putative 0.0104 0.1477 0.5325
Mycobacterium ulcerans esterase/lipase LipP 0.0104 0.1477 0.5325
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.0878 0.3047
Echinococcus multilocularis beta LACTamase domain containing family member 0.0104 0.1477 0.2493
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0184 0.2695 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0059 0.0793 0.1338
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0878 0.1482
Echinococcus granulosus dnaJ subfamily B 0.0395 0.5923 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0083 0.1167 0.1098
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0083 0.1167 0.1098
Echinococcus granulosus mothers against decapentaplegic 5 0.0013 0.0097 0.0164
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0026 0.0293 0.0786
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0024 0.0255 0.1273
Loa Loa (eye worm) hypothetical protein 0.0012 0.0076 0.0243
Loa Loa (eye worm) glutathione reductase 0.0037 0.0452 0.1559
Mycobacterium ulcerans hypothetical protein 0.0184 0.2695 1
Brugia malayi latrophilin 2 splice variant baaae 0.0026 0.0287 0.0979
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0179 0.035
Echinococcus multilocularis thioredoxin glutathione reductase 0.0037 0.046 0.0776
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0878 0.1482
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0013 0.0088 0.0083
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0024 0.0255 0.0867
Loa Loa (eye worm) hypothetical protein 0.0038 0.0468 0.1613
Onchocerca volvulus 0.0104 0.1477 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0195 0.2865 1
Schistosoma mansoni smad1 5 8 and 0.0013 0.0097 0.0164
Loa Loa (eye worm) hypothetical protein 0.0026 0.0287 0.0979
Mycobacterium tuberculosis Probable reductase 0.0083 0.1167 0.1098
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0179 0.0734
Brugia malayi glutathione reductase 0.0037 0.0452 0.1559
Mycobacterium tuberculosis Probable hydrolase 0.0104 0.1477 0.1411
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0104 0.1477 0.5142
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0024 0.0255 0.043
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0179 0.0104
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0104 0.1477 0.1411
Echinococcus multilocularis neuropeptide receptor A26 0.035 0.5229 0.8828
Echinococcus granulosus dna polymerase eta 0.0019 0.0179 0.0303
Echinococcus granulosus Aminotransferase class III 0.0026 0.0293 0.0495
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0179 0.0303
Brugia malayi Smad1 0.0013 0.0097 0.0316
Echinococcus multilocularis Smad4 0.0013 0.0097 0.0164
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0012 0.0076 0.0129
Loa Loa (eye worm) hypothetical protein 0.0019 0.0179 0.0603
Toxoplasma gondii ABC1 family protein 0.0104 0.1477 1
Mycobacterium ulcerans lipase LipD 0.0104 0.1477 0.5325
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0091 0.0104
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0878 0.1482
Trichomonas vaginalis penicillin-binding protein, putative 0.0104 0.1477 0.5325
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0013 0.0088 0.0149
Schistosoma mansoni smad 0.0013 0.0097 0.0164
Plasmodium vivax thioredoxin reductase, putative 0.0037 0.0452 0.2685
Mycobacterium tuberculosis Probable lipase LipD 0.0104 0.1477 0.1411
Mycobacterium tuberculosis Probable lipase LipE 0.0104 0.1477 0.1411
Loa Loa (eye worm) latrophilin receptor protein 2 0.0012 0.0076 0.0243
Trypanosoma brucei unspecified product 0.0019 0.0179 0.0734
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0013 0.0088 0.0012
Echinococcus multilocularis tar DNA binding protein 0.0064 0.0878 0.1482
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0024 0.0255 0.0639
Loa Loa (eye worm) Smad1 0.0013 0.0097 0.0316
Trichomonas vaginalis penicillin-binding protein, putative 0.0104 0.1477 0.5325
Entamoeba histolytica hypothetical protein 0.0056 0.0752 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0104 0.1477 0.5325
Loa Loa (eye worm) transcription factor SMAD2 0.0195 0.2865 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0013 0.0088 0.0083
Trypanosoma cruzi hypothetical protein, conserved 0.0104 0.1477 1
Echinococcus granulosus ubiquitin specific protease 41 0.0024 0.0255 0.043
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0038 0.0468 0.1613
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.0179 0.0734
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0012 0.0076 0.0129
Trypanosoma cruzi hypothetical protein, conserved 0.0104 0.1477 1
Echinococcus multilocularis dna polymerase eta 0.0019 0.0179 0.0303
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0318 0.1089
Mycobacterium tuberculosis Conserved protein 0.0104 0.1477 0.1411
Loa Loa (eye worm) hypothetical protein 0.0104 0.1477 0.5142
Plasmodium falciparum glutathione reductase 0.0037 0.0452 1
Echinococcus multilocularis cpg binding protein 0.0029 0.0342 0.0578
Schistosoma mansoni hypothetical protein 0.0012 0.0076 0.0129
Echinococcus granulosus neuropeptide s receptor 0.035 0.5229 0.8828
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0013 0.0088 0.0083
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0104 0.1477 0.1411
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0184 0.2695 0.2639
Schistosoma mansoni hypothetical protein 0.0012 0.0076 0.0129
Brugia malayi RNA binding protein 0.0064 0.0878 0.3047
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0026 0.0293 0.0218
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0083 0.1167 0.1098
Brugia malayi MH2 domain containing protein 0.0195 0.2865 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0013 0.0088 0.0083
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0179 0.035
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0013 0.0088 0.0083
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0093 0.1308 0.1241
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0013 0.0088 0.0083
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0024 0.0255 0.1273
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0179 0.0734
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0179 0.0603
Onchocerca volvulus 0.0104 0.1477 1
Echinococcus multilocularis ubiquitin specific protease 41 0.0024 0.0255 0.043
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0013 0.0088 0.0083
Loa Loa (eye worm) hypothetical protein 0.0104 0.1477 0.5142
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0013 0.0088 0.0083
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0013 0.0097 0.0164
Echinococcus multilocularis smad 0.0013 0.0097 0.0164
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0179 0.0734
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0012 0.0076 0.0129
Loa Loa (eye worm) TAR-binding protein 0.0064 0.0878 0.3047
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0104 0.1477 0.2493
Giardia lamblia DINP protein human, muc B family 0.0019 0.0179 0.5474
Brugia malayi MH1 domain containing protein 0.0013 0.0097 0.0316
Mycobacterium ulcerans L-lysine aminotransferase 0.0026 0.0293 0.0786
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0026 0.0293 0.0218
Loa Loa (eye worm) MH1 domain-containing protein 0.0013 0.0097 0.0316
Mycobacterium ulcerans hypothetical protein 0.0104 0.1477 0.5325
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0179 0.0734
Leishmania major hypothetical protein, conserved 0.0104 0.1477 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0037 0.046 0.0776
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0179 0.0734
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0176 0.2585 0.9018
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0179 0.0104
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0009 0.0037 0.0105
Treponema pallidum NADH oxidase 0.0013 0.0088 0.5
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0009 0.0037 0.0105
Trichomonas vaginalis D-aminoacylase, putative 0.0104 0.1477 0.5325
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0083 0.1167 0.3636
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0056 0.0752 0.1269
Trichomonas vaginalis D-aminoacylase, putative 0.0104 0.1477 0.5325
Mycobacterium tuberculosis Probable aminotransferase 0.0184 0.2695 0.2639
Leishmania major trypanothione reductase 0.0037 0.0452 0.2685
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0179 0.0734
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0179 0.0734
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0024 0.0255 0.1273
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0179 0.0603
Toxoplasma gondii thioredoxin reductase 0.0037 0.0452 0.2685
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0012 0.0076 0.0129
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0026 0.0293 0.0786
Trypanosoma brucei trypanothione reductase 0.0037 0.0452 0.2685
Brugia malayi Thioredoxin reductase 0.0037 0.0452 0.1559
Entamoeba histolytica hypothetical protein 0.0056 0.0752 1
Trypanosoma cruzi trypanothione reductase, putative 0.0037 0.0452 0.2685
Trypanosoma cruzi trypanothione reductase, putative 0.0013 0.0088 0.0083
Brugia malayi hypothetical protein 0.0056 0.0752 0.2606
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0012 0.0076 0.0129
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0179 0.0734
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0179 0.0734
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0024 0.0255 0.043
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.0697 0.443
Loa Loa (eye worm) hypothetical protein 0.0104 0.1477 0.5142
Brugia malayi MH1 domain containing protein 0.0013 0.0097 0.0316
Echinococcus granulosus Smad4 0.0013 0.0097 0.0164
Loa Loa (eye worm) hypothetical protein 0.0104 0.1477 0.5142
Brugia malayi MH2 domain containing protein 0.0013 0.0097 0.0316
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0012 0.0076 0.0243
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0024 0.0255 0.1273
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0026 0.0293 0.0786
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0179 0.0303
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0179 0.0734
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0179 0.0734
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0093 0.1308 0.4227
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0013 0.0088 0.0149
Brugia malayi beta-lactamase 0.0104 0.1477 0.5142
Loa Loa (eye worm) hypothetical protein 0.0104 0.1477 0.5142
Echinococcus granulosus ornithine aminotransferase 0.0026 0.0293 0.0495
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0179 0.035
Leishmania major DNA polymerase kappa, putative 0.0019 0.0179 0.0734
Echinococcus multilocularis Aminotransferase class III 0.0026 0.0293 0.0495
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0024 0.0255 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0026 0.0044
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0038 0.0468 0.1613
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0179 0.0303
Mycobacterium tuberculosis Probable oxidoreductase 0.0093 0.1308 0.1241
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0026 0.0293 0.0495
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0013 0.0088 0.0083
Echinococcus multilocularis neuropeptide s receptor 0.035 0.5229 0.8828
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0013 0.0097 0.0164
Plasmodium vivax glutathione reductase, putative 0.0037 0.0452 0.2685
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0013 0.0088 0.0083
Mycobacterium tuberculosis Probable esterase LipL 0.0104 0.1477 0.1411
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0024 0.0255 0.043
Schistosoma mansoni hypothetical protein 0.0395 0.5923 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0093 0.1308 0.1241
Echinococcus multilocularis dnaJ subfamily B 0.0395 0.5923 1
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0878 0.1482
Loa Loa (eye worm) MH2 domain-containing protein 0.0013 0.0097 0.0316
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0179 0.0734
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0012 0.0076 0.0129
Loa Loa (eye worm) beta-lactamase 0.0104 0.1477 0.5142
Schistosoma mansoni smad1 5 8 and 0.0013 0.0097 0.0164
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0179 0.0734
Mycobacterium leprae conserved hypothetical protein 0.0104 0.1477 0.4927
Loa Loa (eye worm) isocitrate dehydrogenase 0.0012 0.0076 0.0244
Entamoeba histolytica hypothetical protein 0.0056 0.0752 1
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0024 0.0255 0.0639
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0091 0.0104
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.0878 0.3047
Brugia malayi F/Y-rich N-terminus family protein 0.0008 0.0024 0.0061
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0013 0.0088 0.0083
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0179 0.035
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0037 0.0452 0.0379
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0012 0.0076 0.0129
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0012 0.0076 0.0129
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0184 0.2695 1
Loa Loa (eye worm) thioredoxin reductase 0.0037 0.0452 0.1559
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0024 0.0255 0.043
Schistosoma mansoni cpg binding protein 0.0029 0.0342 0.0578
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0026 0.0293 0.1546
Schistosoma mansoni hypothetical protein 0.0026 0.0287 0.0484
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0013 0.0088 0.0083
Loa Loa (eye worm) hypothetical protein 0.0024 0.0255 0.0867
Trypanosoma brucei unspecified product 0.0013 0.0091 0.0104
Brugia malayi Latrophilin receptor protein 2 0.0012 0.0076 0.0243
Brugia malayi MH2 domain containing protein 0.0013 0.0097 0.0316
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0179 0.0734
Plasmodium falciparum glutathione reductase 0.0013 0.0088 0.0308
Echinococcus granulosus TGF beta signal transducer SmadC 0.0013 0.0097 0.0164
Brugia malayi beta-lactamase family protein 0.0104 0.1477 0.5142
Mycobacterium tuberculosis Probable dehydrogenase 0.0083 0.1167 0.1098
Schistosoma mansoni DNA polymerase eta 0.0019 0.0179 0.0303
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0024 0.0255 0.043
Echinococcus multilocularis isocitrate dehydrogenase 0.0012 0.0076 0.0129
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0026 0.0293 0.0218
Plasmodium falciparum thioredoxin reductase 0.0013 0.0088 0.0308
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0013 0.0088 0.0284
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0026 0.0293 0.0786
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0013 0.0088 0.0083
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0179 0.0734
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0179 0.0734
Brugia malayi Calcitonin receptor-like protein seb-1 0.0038 0.0468 0.1613
Onchocerca volvulus 0.0104 0.1477 1
Plasmodium falciparum thioredoxin reductase 0.0037 0.0452 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0104 0.1477 0.2493
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0013 0.0088 0.0308
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0026 0.0293 1
Trypanosoma brucei unspecified product 0.0013 0.0091 0.0104
Mycobacterium ulcerans beta-lactamase 0.0104 0.1477 0.5325
Brugia malayi isocitrate dehydrogenase 0.0012 0.0076 0.0244
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0104 0.1477 0.1411
Brugia malayi follicle stimulating hormone receptor 0.0176 0.2585 0.9018
Echinococcus multilocularis ornithine aminotransferase 0.0026 0.0293 0.0495
Schistosoma mansoni cpg binding protein 0.0029 0.0342 0.0578
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0179 0.0303
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0179 0.0734
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0024 0.0255 0.1318
Plasmodium vivax hypothetical protein, conserved 0.0104 0.1477 1
Brugia malayi CXXC zinc finger family protein 0.0028 0.0318 0.1089
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0026 0.0293 0.0218
Brugia malayi Isocitrate dehydrogenase 0.0012 0.0076 0.0244
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0179 0.0734
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0013 0.0088 0.0083
Echinococcus multilocularis ornithine aminotransferase 0.0026 0.0293 0.0495
Echinococcus granulosus GPCR family 2 0.0012 0.0076 0.0129
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0104 0.1477 0.2493
Mycobacterium tuberculosis Conserved protein 0.0104 0.1477 0.1411
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0026 0.0067
Trichomonas vaginalis esterase, putative 0.0104 0.1477 0.5325
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0083 0.1167 0.1098
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0013 0.0088 0.0083
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0013 0.0088 0.0083
Mycobacterium leprae Probable lipase LipE 0.0104 0.1477 0.4927
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0013 0.0088 0.0308
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0013 0.0088 0.0083
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0184 0.2695 1
Loa Loa (eye worm) RNA binding protein 0.0064 0.0878 0.3047
Schistosoma mansoni hypothetical protein 0.0012 0.0076 0.0129
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0179 0.0303
Leishmania major DNA polymerase eta, putative 0.0019 0.0179 0.0734
Schistosoma mansoni cpg binding protein 0.0028 0.0318 0.0537
Echinococcus granulosus tar DNA binding protein 0.0064 0.0878 0.1482
Entamoeba histolytica hypothetical protein 0.0056 0.0752 1
Mycobacterium ulcerans acetylornithine aminotransferase 0.0026 0.0293 0.0786
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0056 0.0752 0.1269
Schistosoma mansoni hypothetical protein 0.0056 0.0752 0.1269
Schistosoma mansoni Smad4 0.0013 0.0097 0.0164
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0013 0.0088 0.0149
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0026 0.0044
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0026 0.0293 0.1001
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0026 0.0293 1
Echinococcus granulosus smad 0.0013 0.0097 0.0164
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0012 0.0076 0.0129
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0091 0.0104
Mycobacterium tuberculosis Conserved protein 0.0104 0.1477 0.1411
Plasmodium falciparum ornithine aminotransferase 0.0026 0.0293 0.576
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0179 0.0603
Schistosoma mansoni transcription factor LCR-F1 0.0056 0.0752 0.1269
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0179 0.0734
Echinococcus granulosus cpg binding protein 0.0029 0.0342 0.0578
Brugia malayi TAR-binding protein 0.0064 0.0878 0.3047
Trichomonas vaginalis conserved hypothetical protein 0.0024 0.0255 0.0639
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0104 0.1477 0.5142
Echinococcus multilocularis GPCR, family 2 0.0012 0.0076 0.0129
Trypanosoma brucei hypothetical protein, conserved 0.0104 0.1477 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0013 0.0088 0.0083

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) 1.63 uM PubChem BioAssay. Mycobacterium tuberculosis BioA enzyme inhibitor Measured in Biochemical System Using Plate Reader - 2163-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.122 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 5.2213 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
Plasmodium falciparum ChEMBL23

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.