Detailed information for compound 1333500

Basic information

Technical information
  • TDR Targets ID: 1333500
  • Name: N-[2-[6-(azepan-1-yl)-[1,2,4]triazolo[5,4-f]p yridazin-3-yl]ethyl]benzamide
  • MW: 364.444 | Formula: C20H24N6O
  • H donors: 1 H acceptors: 4 LogP: 2.67 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccccc1)NCCc1nnc2n1nc(cc2)N1CCCCCC1
  • InChi: 1S/C20H24N6O/c27-20(16-8-4-3-5-9-16)21-13-12-18-23-22-17-10-11-19(24-26(17)18)25-14-6-1-2-7-15-25/h3-5,8-11H,1-2,6-7,12-15H2,(H,21,27)
  • InChiKey: MDAXILHCJSNVGO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-[6-(1-azepanyl)-[1,2,4]triazolo[5,4-f]pyridazin-3-yl]ethyl]benzamide
  • ZINC04358622

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Equus caballus Ferritin light chain Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) steroid hormone receptor 0.0062 0.0541 0.0541
Loa Loa (eye worm) glutaminase 2 0.0577 0.6557 0.6557
Loa Loa (eye worm) hypothetical protein 0.0029 0.0155 0.0155
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0082 0.0774 0.0841
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0024 0.0093 0.0201
Echinococcus granulosus FTZ F1 alpha 0.0062 0.0541 0.0998
Loa Loa (eye worm) hypothetical protein 0.0042 0.0307 0.0307
Brugia malayi tailless protein 0.0029 0.0155 0.0222
Mycobacterium ulcerans carbon monoxyde dehydrogenase medium chain CoxM 0.0061 0.0519 0.0743
Schistosoma mansoni intermediate filament proteins 0.0027 0.0123 0.0187
Loa Loa (eye worm) nuclear receptor NHR-67 0.0029 0.0155 0.0155
Schistosoma mansoni thyroid hormone receptor 0.0187 0.1999 0.3049
Loa Loa (eye worm) hypothetical protein 0.0062 0.0541 0.0541
Loa Loa (eye worm) hypothetical protein 0.0062 0.0541 0.0541
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0062 0.0541 0.0587
Mycobacterium ulcerans hypothetical protein 0.0029 0.0151 0.018
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0029 0.0155 0.0769
Mycobacterium ulcerans hypothetical protein 0.0024 0.0093 0.0091
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0029 0.0155 0.0769
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0029 0.0155 0.0168
Echinococcus granulosus ornithine aminotransferase 0.0024 0.0093 0.0172
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0062 0.0541 0.0587
Loa Loa (eye worm) hypothetical protein 0.0029 0.0155 0.0155
Schistosoma mansoni steroid hormone receptor ad4bp 0.0062 0.0541 0.0825
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0038 0.0008
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0034 0.0062
Mycobacterium ulcerans carbon monoxyde dehydrogenase small chain CoxS 0.0034 0.0211 0.0271
Echinococcus multilocularis serine:threonine protein kinase:endoribonuclease 0.0293 0.3243 0.3523
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0128 0.1305 0.1418
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0479 0.5419 0.8263
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0062 0.0541 0.0812
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0297 0.3282 0.4999
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0024 0.0093 0.0201
Schistosoma mansoni hypothetical protein 0.0297 0.3282 0.5006
Onchocerca volvulus Protein ultraspiracle homolog 0.0062 0.0541 1
Mycobacterium tuberculosis Probable aminotransferase 0.0024 0.0093 0.0201
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0038 0.0044
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0074 0.0675 0.119
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0029 0.0155 0.0222
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0297 0.3282 0.4999
Mycobacterium ulcerans aerobic-type carbon monoxide dehydrogenase subunit CoxL_2 0.0085 0.0799 0.1174
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0062 0.0541 0.0825
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0479 0.5419 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0199 0.2142 0.3233
Trichomonas vaginalis xanthine dehydrogenase, putative 0.0179 0.1908 0.2874
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0062 0.0541 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0479 0.5419 0.8266
Schistosoma mansoni RAR-like nuclear receptor 0.0062 0.0541 0.0825
Loa Loa (eye worm) hypothetical protein 0.0062 0.0541 0.0541
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0029 0.0155 0.0168
Echinococcus multilocularis transcription factor Dp 1 0.0043 0.031 0.0337
Echinococcus multilocularis thyroid hormone receptor alpha 0.0187 0.1999 0.2172
Loa Loa (eye worm) hypothetical protein 0.0029 0.0155 0.0155
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0271 0.2985 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0123 0.0123
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0062 0.0541 0.0541
Schistosoma mansoni hypothetical protein 0.0168 0.1773 0.2705
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0024 0.0093 0.0091
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0024 0.0093 0.017
Brugia malayi ecdysone receptor 0.0029 0.0155 0.0222
Loa Loa (eye worm) hypothetical protein 0.0297 0.3282 0.3282
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0062 0.0541 0.0541
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0062 0.0541 0.0998
Brugia malayi nuclear hormone receptor family member odr-7 0.0029 0.0155 0.0222
Leishmania major aldehyde dehydrogenase, putative 0.0042 0.0307 0.0508
Leishmania major carbonic anhydrase-like protein 0.0479 0.5419 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0062 0.0541 0.0998
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0038 0.0006
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0074 0.0675 0.0675
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0062 0.0541 0.0587
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0161 0.1691 0.3121
Mycobacterium ulcerans aerobic-type carbon monoxide dehydrogenase subunit CoxM_2 0.0061 0.0519 0.0743
Schistosoma mansoni carbonic anhydrase 0.0297 0.3282 0.5006
Onchocerca volvulus 0.0029 0.0155 0.0769
Echinococcus granulosus geminin 0.0168 0.1773 0.3272
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0297 0.3282 0.4999
Plasmodium vivax ornithine aminotransferase, putative 0.0024 0.0093 1
Echinococcus granulosus Aminotransferase class III 0.0024 0.0093 0.0172
Schistosoma mansoni glutaminase 0.0577 0.6557 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.034 0.0519
Echinococcus granulosus intermediate filament protein 0.0027 0.0123 0.0226
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0074 0.0675 0.119
Loa Loa (eye worm) hypothetical protein 0.0027 0.0123 0.0123
Brugia malayi follicle stimulating hormone receptor 0.0247 0.2702 0.4113
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0034 0.0037
Mycobacterium ulcerans carbon monoxyde dehydrogenase small chain CoxS 0.0034 0.0211 0.0271
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0074 0.0675 0.1245
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0024 0.0093 0.0091
Mycobacterium ulcerans NAD-dependent aldehyde dehydrogenase AldA 0.0042 0.0307 0.042
Loa Loa (eye worm) hypothetical protein 0.0033 0.0196 0.0196
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0123 0.0123
Onchocerca volvulus 0.0062 0.0541 1
Mycobacterium ulcerans L-lysine aminotransferase 0.0271 0.2985 0.4525
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0074 0.0675 0.119
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0062 0.0541 0.0541
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0033 0.0196 0.0299
Schistosoma mansoni carbonic anhydrase-related 0.0297 0.3282 0.5006
Schistosoma mansoni hypothetical protein 0.0125 0.1269 0.1935
Echinococcus multilocularis lamin dm0 0.0027 0.0123 0.0133
Schistosoma mansoni thyroid hormone receptor 0.0187 0.1999 0.3049
Mycobacterium ulcerans acetylornithine aminotransferase 0.0024 0.0093 0.0091
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0062 0.0541 0.0541
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0024 0.0093 0.0091
Mycobacterium ulcerans succinate-semialdehyde dehydrogenase 0.0042 0.0307 0.042
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0038 0.0008
Echinococcus multilocularis Aminotransferase class III 0.0024 0.0093 0.0101
Treponema pallidum hypothetical protein 0.0024 0.0091 0.4689
Echinococcus granulosus carbonic anhydrase II 0.0479 0.5419 1
Toxoplasma gondii hypothetical protein 0.0297 0.3282 1
Schistosoma mansoni ap endonuclease 0.0019 0.0038 0.0058
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0074 0.0675 0.0733
Brugia malayi intermediate filament protein 0.0027 0.0123 0.0173
Echinococcus granulosus carbonic anhydrase 0.0297 0.3282 0.6056
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (large chain) 0.0085 0.0799 0.2594
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0038 0.0038
Loa Loa (eye worm) hypothetical protein 0.0033 0.0196 0.0196
Echinococcus granulosus Nuclear hormone receptor HR96 0.0029 0.0155 0.0286
Schistosoma mansoni zinc finger protein 0.0029 0.0155 0.0236
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0038 0.0008
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0062 0.0541 0.0998
Brugia malayi hypothetical protein 0.0033 0.0196 0.0285
Brugia malayi nuclear receptor NHR-88 0.0029 0.0155 0.0222
Brugia malayi nuclear receptor NHR-88 0.0062 0.0541 0.0812
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0024 0.0093 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0196 0.0196
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0024 0.0093 0.0201
Brugia malayi Nuclear hormone receptor E75 0.0029 0.0155 0.0222
Echinococcus granulosus lamin 0.0027 0.0123 0.0226
Brugia malayi Nuclear hormone receptor-like 1 0.0062 0.0541 0.0812
Mycobacterium tuberculosis Probable aldehyde dehydrogenase NAD dependent AldA (aldehyde dehydrogenase [NAD+]) 0.0042 0.0307 0.0927
Echinococcus multilocularis ornithine aminotransferase 0.0024 0.0093 0.0101
Schistosoma mansoni succinate semialdehyde dehydrogenase 0.0042 0.0307 0.0469
Loa Loa (eye worm) hypothetical protein 0.0033 0.0196 0.0196
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0062 0.0541 0.0825
Echinococcus multilocularis carbonic anhydrase 0.0297 0.3282 0.3566
Loa Loa (eye worm) hypothetical protein 0.0062 0.0541 0.0541
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0062 0.0541 0.0812
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0062 0.0541 0.0825
Trypanosoma brucei aldehyde dehydrogenase, putative 0.0042 0.0307 0.0508
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.034 0.0369
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0038 0.0008
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0479 0.5419 0.5419
Brugia malayi hypothetical protein 0.0033 0.0196 0.0285
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0247 0.2702 0.2702
Echinococcus granulosus serine:threonine protein kinase:endoribonuclease 0.0293 0.3243 0.5984
Loa Loa (eye worm) glutaminase 0.0577 0.6557 0.6557
Schistosoma mansoni coup transcription factor 0.0062 0.0541 0.0825
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0024 0.0093 0.0091
Mycobacterium ulcerans NAD-dependent aldehyde dehydrogenase AldA 0.0042 0.0307 0.042
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0803 0.9204 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0199 0.2142 0.3233
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0123 0.0173
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0062 0.0541 0.0812
Brugia malayi ecdysteroid receptor 0.0062 0.0541 0.0812
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0074 0.0675 0.1029
Echinococcus multilocularis carbonic anhydrase 0.0297 0.3282 0.3566
Loa Loa (eye worm) hypothetical protein 0.0029 0.0155 0.0155
Brugia malayi nuclear receptor RXR 0.0029 0.0155 0.0222
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0062 0.0541 0.0541
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0024 0.0093 0.0142
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0062 0.0541 0.0812
Brugia malayi nuclear hormone receptor 0.0062 0.0541 0.0812
Brugia malayi Steroid receptor seven-up type 2 0.0062 0.0541 0.0812
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0199 0.2142 0.3915
Treponema pallidum hypothetical protein 0.0029 0.0151 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0062 0.0541 0.0998
Brugia malayi conserved hypotetical protein 0.0029 0.0155 0.0222
Echinococcus multilocularis dna polymerase eta 0.0019 0.0034 0.0037
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0062 0.0541 0.0812
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0024 0.0093 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0062 0.0541 0.0541
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0062 0.0541 0.0541
Toxoplasma gondii aldehyde dehydrogenase 0.0199 0.2142 0.6487
Echinococcus multilocularis FTZ F1 alpha 0.0062 0.0541 0.0587
Brugia malayi orphan nuclear receptor NR2E1 0.0029 0.0155 0.0222
Loa Loa (eye worm) hypothetical protein 0.0029 0.0155 0.0155
Echinococcus granulosus succinate semialdehyde dehydrogenase 0.0042 0.0307 0.0567
Echinococcus granulosus nuclear receptor nhr 48 0.0029 0.0155 0.0286
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0199 0.2142 0.2328
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0125 0.1269 0.1378
Loa Loa (eye worm) hypothetical protein 0.0029 0.0155 0.0155
Brugia malayi nuclear receptor NHR-67 0.0029 0.0155 0.0222
Schistosoma mansoni DNA polymerase eta 0.0019 0.0034 0.0051
Entamoeba histolytica protein kinase, putative 0.0293 0.3243 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0038 0.0014
Echinococcus granulosus ecdysone induced protein 78C 0.0062 0.0541 0.0998
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0038 0.007
Loa Loa (eye worm) hypothetical protein 0.0042 0.0307 0.0307
Loa Loa (eye worm) hypothetical protein 0.0029 0.0155 0.0155
Loa Loa (eye worm) hypothetical protein 0.0297 0.3282 0.3282
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0033 0.0196 0.0299
Loa Loa (eye worm) hypothetical protein 0.0029 0.0155 0.0155
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0033 0.0196 0.0213
Schistosoma mansoni aldehyde dehydrogenase 0.0199 0.2142 0.3268
Brugia malayi Nuclear hormone receptor-like 1 0.0033 0.0196 0.0285
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0034 0.0038
Mycobacterium leprae PROBABLE SUCCINATE-SEMIALDEHYDE DEHYDROGENASE [NADP+] DEPENDENT (SSDH) GABD 0.0042 0.0307 1
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 0.0042 0.0307 0.0927
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0062 0.0541 0.0812
Entamoeba histolytica protein kinase, putative 0.0293 0.3243 1
Plasmodium falciparum ornithine aminotransferase 0.0024 0.0093 0.017
Echinococcus multilocularis musashi 0.0027 0.0123 0.0133
Echinococcus multilocularis succinate semialdehyde dehydrogenase 0.0042 0.0307 0.0334
Loa Loa (eye worm) hypothetical protein 0.0033 0.0196 0.0196
Loa Loa (eye worm) hypothetical protein 0.0029 0.0155 0.0155
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0297 0.3282 0.4999
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0038 0.0006
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0479 0.5419 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0034 0.0051
Echinococcus granulosus carbonic anhydrase 0.0297 0.3282 0.6056
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0074 0.0675 0.1016
Schistosoma mansoni nuclear receptor 0.0029 0.0155 0.0236
Loa Loa (eye worm) hypothetical protein 0.0029 0.0155 0.0155
Loa Loa (eye worm) hypothetical protein 0.0062 0.0541 0.0541
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0024 0.0093 0.0091
Echinococcus granulosus thyroid hormone receptor alpha 0.0029 0.0155 0.0286
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.034 0.0519
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0062 0.0541 0.0825
Echinococcus multilocularis nuclear receptor nhr 48 0.0029 0.0155 0.0168
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0029 0.0155 0.0168
Brugia malayi nuclear receptor RXR 0.0033 0.0196 0.0285
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0479 0.5419 0.8263
Loa Loa (eye worm) hypothetical protein 0.0019 0.0034 0.0034
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.034 0.0519
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0038 0.0006
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0029 0.0155 0.0236
Echinococcus multilocularis ornithine aminotransferase 0.0024 0.0093 0.0101
Schistosoma mansoni nuclear hormone receptor 0.0029 0.0155 0.0236
Echinococcus multilocularis lamin 0.0027 0.0123 0.0133
Loa Loa (eye worm) hypothetical protein 0.0062 0.0541 0.0541
Echinococcus granulosus Nuclear hormone receptor HR96 0.0029 0.0155 0.0286
Onchocerca volvulus Bile acid receptor homolog 0.0062 0.0541 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0062 0.0541 0.0825
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0074 0.0675 0.1997
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0034 0.0037
Brugia malayi hypothetical protein 0.0029 0.0155 0.0222
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0062 0.0541 0.0998
Loa Loa (eye worm) nuclear hormone receptor 0.0029 0.0155 0.0155
Brugia malayi steroid hormone receptor 0.0062 0.0541 0.0812
Mycobacterium ulcerans carbon monoxyde dehydrogenase large chain CoxL 0.0053 0.0432 0.0611
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0125 0.1269 0.2341
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.034 0.0369
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0062 0.0541 0.0587
Loa Loa (eye worm) hypothetical protein 0.0062 0.0541 0.0541
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0062 0.0541 0.0812
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.034 0.0505
Schistosoma mansoni carbonic anhydrase-related 0.0297 0.3282 0.5006
Schistosoma mansoni aldehyde dehydrogenase 0.0199 0.2142 0.3268
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0029 0.0155 0.0155
Trichomonas vaginalis conserved hypothetical protein 0.015 0.1559 0.2339
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0062 0.0541 0.0587
Echinococcus granulosus dna polymerase eta 0.0019 0.0034 0.0062
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0034 0.0051
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.034 0.0627
Loa Loa (eye worm) hypothetical protein 0.0029 0.0155 0.0155
Loa Loa (eye worm) hypothetical protein 0.0062 0.0541 0.0541
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0024 0.0093 0.0201
Brugia malayi Ribonuclease 2-5A family protein 0.0293 0.3243 0.4939
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0479 0.5419 0.8266
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0033 0.0196 0.0362
Schistosoma mansoni nuclear receptor 0.0029 0.0155 0.0236
Schistosoma mansoni hypothetical protein 0.0168 0.1773 0.2705
Loa Loa (eye worm) hypothetical protein 0.0029 0.0155 0.0155
Schistosoma mansoni nuclear receptor nhr-48 0.0029 0.0155 0.0236
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0062 0.0541 0.0587
Loa Loa (eye worm) hypothetical protein 0.0029 0.0155 0.0155
Echinococcus granulosus dna polymerase kappa 0.0019 0.0034 0.0062
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0038 0.0013
Schistosoma mansoni serine/threonine protein kinase 0.015 0.157 0.2395
Echinococcus granulosus carbonic anhydrase 0.0297 0.3282 0.6056
Brugia malayi hypothetical protein 0.0029 0.0155 0.0222
Echinococcus multilocularis carbonic anhydrase 0.0297 0.3282 0.3566
Mycobacterium ulcerans aldehyde dehydrogenase 0.0199 0.2142 0.3233
Brugia malayi Succinate semialdehyde dehydrogenase, mitochondrial precursor 0.0042 0.0307 0.0455
Trichomonas vaginalis serine threonine-protein kinase, putative 0.015 0.1559 0.2339
Onchocerca volvulus 0.0029 0.0155 0.0769
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0062 0.0541 0.0998
Schistosoma mansoni retinoic acid receptor RXR 0.0161 0.1691 0.2579
Trypanosoma brucei carbonic anhydrase-like protein 0.0479 0.5419 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0038 0.0041
Loa Loa (eye worm) DR-78 0.0029 0.0155 0.0155
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0029 0.0155 0.0236
Treponema pallidum quinoline 2-oxidoreductase 0.0028 0.0143 0.93
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0029 0.0155 0.0286
Schistosoma mansoni lamin 0.0027 0.0123 0.0187
Echinococcus granulosus lamin dm0 0.0027 0.0123 0.0226
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0024 0.0093 0.0091
Trichomonas vaginalis xanthine dehydrogenase, putative 0.0179 0.1908 0.2874
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0038 1
Mycobacterium ulcerans glutaminase 0.0577 0.6557 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0062 0.0541 0.0812
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0033 0.0196 0.0196
Echinococcus multilocularis geminin 0.0168 0.1773 0.1926
Schistosoma mansoni nuclear hormone receptor 0.0029 0.0155 0.0236
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0062 0.0541 0.0825
Loa Loa (eye worm) IRE protein kinase 0.0293 0.3243 0.3243
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (small chain) 0.0034 0.0211 0.06
Trypanosoma cruzi aldehyde dehydrogenase, putative 0.0042 0.0307 0.0508
Loa Loa (eye worm) hypothetical protein 0.0026 0.0117 0.0117
Schistosoma mansoni nuclear hormone receptor 0.0062 0.0541 0.0825
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.034 0.0627
Brugia malayi nuclear hormone receptor 0.0029 0.0155 0.0222
Schistosoma mansoni ap endonuclease 0.0019 0.0038 0.0058
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0029 0.0155 0.0286
Brugia malayi photoreceptor-specific nuclear receptor 0.0062 0.0541 0.0812
Schistosoma mansoni lamin 0.0027 0.0123 0.0187
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0297 0.3282 0.3282
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0062 0.0541 0.0812
Echinococcus granulosus transcription factor Dp 1 0.0043 0.031 0.0573
Brugia malayi glutaminase DH11.1 0.0577 0.6557 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0297 0.3282 0.4999
Brugia malayi nuclear hormone receptor family member nhr-6 0.0029 0.0155 0.0222
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0062 0.0541 0.0812
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0062 0.0541 0.0812
Toxoplasma gondii NADP-dependent succinate-semialdehyde dehydrogenase 0.0042 0.0307 0.0831
Brugia malayi Nuclear hormone receptor E75 0.0029 0.0155 0.0222
Brugia malayi Nuclear hormone receptor-like 1 0.0033 0.0196 0.0285
Schistosoma mansoni carbonic anhydrase-related 0.0297 0.3282 0.5006
Trichomonas vaginalis aldehyde oxidase, putative 0.0179 0.1908 0.2874
Mycobacterium ulcerans carbon monoxide dehydrogenase 0.0119 0.12 0.1788
Mycobacterium ulcerans carbon monoxyde dehydrogenase large chain CoxL 0.0085 0.0799 0.1174
Loa Loa (eye worm) carbonic anhydrase 3 0.0479 0.5419 0.5419
Echinococcus multilocularis succinate semialdehyde dehydrogenase 0.0042 0.0307 0.0334
Plasmodium falciparum carbonic anhydrase 0.0297 0.3282 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0199 0.2142 0.7144
Echinococcus multilocularis ecdysone induced protein 78C 0.0062 0.0541 0.0587
Echinococcus granulosus nuclear factor of activated T cells 5 0.0082 0.0774 0.1429
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0062 0.0541 0.0812
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0034 0.0038
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0029 0.0155 0.0168
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0271 0.2985 0.4546
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (medium chain) 0.0061 0.0519 0.1643
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0074 0.0675 0.119
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0034 0.0034
Echinococcus multilocularis carbonic anhydrase II 0.0479 0.5419 0.5888
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0199 0.2142 0.3953
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0062 0.0541 0.0812
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.034 0.034
Trichomonas vaginalis glutaminase, putative 0.0577 0.6557 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 6.3096 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) 10.4179 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 (binding) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 20.5878 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

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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