Detailed information for compound 973874

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 389.447 | Formula: C23H23N3O3
  • H donors: 2 H acceptors: 1 LogP: 3.45 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CO[C@@H]1CC=C2[C@@](O1)(CCC(=O)N(N2)c1c[nH]c2c1cccc2)c1ccccc1
  • InChi: 1S/C23H23N3O3/c1-28-22-12-11-20-23(29-22,16-7-3-2-4-8-16)14-13-21(27)26(25-20)19-15-24-18-10-6-5-9-17(18)19/h2-11,15,22,24-25H,12-14H2,1H3/t22-,23+/m0/s1
  • InChiKey: ZMBVBNQPHCNBBQ-XZOQPEGZSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans hypothetical protein 0.0047 0.0428 0.0553
Leishmania major 4-coumarate:coa ligase-like protein 0.0047 0.0428 0.1368
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0021 0.0066
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0112 0.1251 0.1619
Echinococcus granulosus RUN 0.002 0.0078 0.025
Echinococcus granulosus adenosylhomocysteinase 0.0258 0.3126 1
Schistosoma mansoni glutaminase 0.0618 0.7727 1
Loa Loa (eye worm) adenosylhomocysteinase 0.0258 0.3126 0.4045
Echinococcus multilocularis transcription factor Dp 1 0.0039 0.0318 0.0318
Schistosoma mansoni adenosylhomocysteinase 0.016 0.1866 0.2415
Schistosoma mansoni lamin 0.0026 0.0161 0.0208
Echinococcus multilocularis lamin 0.0026 0.0161 0.0161
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.0357 0.1066
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0066 0.0213
Loa Loa (eye worm) thymidylate synthase 0.011 0.1224 0.1584
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.0679 0.2174
Schistosoma mansoni dihydrofolate reductase 0.0112 0.1251 0.1619
Mycobacterium leprae putative S-adenosyl-L-homocysteine hydrolase SahH 0.0258 0.3126 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0035 0.0275 0.0355
Schistosoma mansoni adenosylhomocysteinase 0.016 0.1866 0.2415
Leishmania major ATP-dependent phosphofructokinase 0.0107 0.1187 0.3796
Schistosoma mansoni ap endonuclease 0.0019 0.0066 0.0086
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0078 0.025
Brugia malayi Dihydrofolate reductase 0.0112 0.1251 0.1619
Onchocerca volvulus 0.0047 0.0428 0.3494
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0067 0.0679 0.2174
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0066 0.0086
Trypanosoma brucei S-adenosylhomocysteine hydrolase, putative 0.0258 0.3126 1
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0161 0.0208
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0236 0.2845 0.3682
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0191 0.0247
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0029 0.0191 0.061
Loa Loa (eye worm) hypothetical protein 0.0035 0.0275 0.0355
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0021 0.0066
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0021 0.0021
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0016 0.0021 0.0066
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0016 0.0021 0.0066
Schistosoma mansoni polycystin 1-related 0.002 0.0078 0.0101
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.0357 0.1143
Schistosoma mansoni adenosylhomocysteinase 0.016 0.1866 0.2415
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0029 0.0191 0.061
Loa Loa (eye worm) doublecortin family protein 0.002 0.0078 0.0101
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0221 0.2653 0.8487
Brugia malayi hypothetical protein 0.0052 0.0489 0.0633
Trichomonas vaginalis hypothetical protein 0.0062 0.061 0.0789
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.012 0.1354 0.1354
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0078 0.025
Brugia malayi TAR-binding protein 0.0062 0.0617 0.0799
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.0679 0.2174
Onchocerca volvulus 0.002 0.0078 0.0639
Entamoeba histolytica phosphofructokinase, putative 0.0107 0.1187 0.3796
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0107 0.1187 0.3796
Brugia malayi intermediate filament protein 0.0026 0.0161 0.0208
Echinococcus multilocularis thymidylate synthase 0.011 0.1224 0.1224
Entamoeba histolytica acyl-coA synthetase, putative 0.0047 0.0428 0.1368
Brugia malayi AMP-binding enzyme family protein 0.0047 0.0428 0.0553
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0066 0.0213
Echinococcus granulosus lamin dm0 0.0026 0.0161 0.0514
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0617 0.0799
Loa Loa (eye worm) hypothetical protein 0.0047 0.0428 0.0553
Onchocerca volvulus 0.002 0.0078 0.0639
Brugia malayi hypothetical protein 0.002 0.0078 0.0101
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.0357 0.1066
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0021 0.0027
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0021 0.0027
Loa Loa (eye worm) hypothetical protein 0.002 0.0078 0.0101
Loa Loa (eye worm) hypothetical protein 0.002 0.0078 0.0101
Plasmodium falciparum adenosylhomocysteinase 0.0258 0.3126 1
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0221 0.2653 0.8487
Schistosoma mansoni 6-phosphofructokinase 0.0107 0.1187 0.1536
Trypanosoma cruzi S-adenosylhomocysteine hydrolase, putative 0.0258 0.3126 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0161 0.0208
Brugia malayi AMP-binding enzyme family protein 0.0047 0.0428 0.0553
Trichomonas vaginalis adenosylhomocysteinase, putative 0.0258 0.3126 0.4045
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0617 0.0799
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.0679 0.2174
Onchocerca volvulus 0.0026 0.0161 0.1313
Echinococcus multilocularis 6 phosphofructokinase 0.0107 0.1187 0.1187
Echinococcus multilocularis Polycystic kidney disease protein 0.002 0.0078 0.0078
Trichomonas vaginalis glutaminase, putative 0.0618 0.7727 1
Echinococcus granulosus dihydrofolate reductase 0.0112 0.1251 0.4003
Mycobacterium ulcerans 6-phosphofructokinase 0.0107 0.1187 0.1536
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0066 0.0086
Toxoplasma gondii adenosylhomocysteinase, putative 0.0258 0.3126 0.9328
Echinococcus granulosus histone acetyltransferase KAT2B 0.0138 0.159 0.5088
Mycobacterium ulcerans thymidylate synthase 0.011 0.1224 0.1584
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0029 0.0191 0.5052
Brugia malayi AMP-binding enzyme family protein 0.0047 0.0428 0.0553
Schistosoma mansoni lamin 0.0026 0.0161 0.0208
Brugia malayi 6-phosphofructokinase 0.0107 0.1187 0.1536
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0617 0.0799
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0066 0.0213
Mycobacterium ulcerans acyl-CoA synthetase 0.0047 0.0428 0.0553
Schistosoma mansoni hypothetical protein 0.002 0.0078 0.0101
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0067 0.0679 0.2174
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0052 0.0489 0.1565
Echinococcus granulosus Polycystic kidney disease protein 0.002 0.0078 0.025
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0067 0.0679 0.0879
Brugia malayi dihydrofolate reductase family protein 0.0112 0.1251 0.1619
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0112 0.1251 0.4003
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.025 0.08
Entamoeba histolytica acyl-CoA synthetase, putative 0.0047 0.0428 0.1368
Brugia malayi phosphofructokinase 0.0107 0.1187 0.1536
Trichomonas vaginalis conserved hypothetical protein 0.0276 0.3351 0.4337
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0142 0.1641 0.1641
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0021 0.0021
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0021 0.0021
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0066 0.5
Plasmodium vivax multidomain scavenger receptor, putative 0.002 0.0078 0.025
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0067 0.0679 0.0679
Entamoeba histolytica phosphofructokinase, putative 0.0107 0.1187 0.3796
Brugia malayi acetyltransferase, GNAT family protein 0.0142 0.1641 0.2124
Echinococcus granulosus thymidylate synthase 0.011 0.1224 0.3916
Plasmodium falciparum LCCL domain-containing protein 0.002 0.0078 0.025
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0047 0.0428 0.1368
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0191 0.0247
Plasmodium vivax 6-phosphofructokinase, putative 0.0029 0.0191 0.061
Echinococcus multilocularis lamin dm0 0.0026 0.0161 0.0161
Trichomonas vaginalis phosphofructokinase, putative 0.0107 0.1187 0.1536
Mycobacterium ulcerans ketopantoate reductase, ApbA 0.0276 0.3351 0.4337
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.0357 0.0462
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.0357 0.0462
Mycobacterium ulcerans S-adenosyl-L-homocysteine hydrolase 0.0258 0.3126 0.4045
Loa Loa (eye worm) hypothetical protein 0.0047 0.0428 0.0553
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0617 0.0799
Leishmania major 4-coumarate:coa ligase-like protein 0.0047 0.0428 0.1368
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.011 0.1224 0.3916
Brugia malayi isocitrate dehydrogenase 0.0016 0.0021 0.0027
Loa Loa (eye worm) 6-phosphofructokinase 0.0107 0.1187 0.1536
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0107 0.1187 0.3796
Mycobacterium ulcerans 2-dehydropantoate 2-reductase 0.0107 0.1188 0.1537
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.0004 0.0005
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0221 0.2653 0.8487
Trichomonas vaginalis conserved hypothetical protein 0.0052 0.0489 0.0633
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0221 0.2653 0.8487
Brugia malayi hypothetical protein 0.002 0.0078 0.0101
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0617 0.0617
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0066 0.0213
Brugia malayi thymidylate synthase 0.011 0.1224 0.1584
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.025 0.08
Loa Loa (eye worm) hypothetical protein 0.0035 0.0275 0.0355
Loa Loa (eye worm) hypothetical protein 0.0047 0.0428 0.0553
Brugia malayi glutaminase DH11.1 0.0618 0.7727 1
Plasmodium vivax acyl-CoA synthetase, putative 0.0035 0.0275 0.0879
Trichomonas vaginalis phosphofructokinase, putative 0.0107 0.1187 0.1536
Loa Loa (eye worm) hypothetical protein 0.0035 0.0275 0.0355
Toxoplasma gondii phosphofructokinase PFKII 0.0029 0.0191 0.0569
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0029 0.0191 0.0569
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0191 0.0247
Mycobacterium ulcerans glutaminase 0.0618 0.7727 1
Echinococcus granulosus 6 phosphofructokinase 0.0107 0.1187 0.3796
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0078 0.0078
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0047 0.0428 0.0553
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0191 0.0247
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0112 0.1251 0.4003
Onchocerca volvulus 0.0026 0.0161 0.1313
Toxoplasma gondii S-Adenosyl homocysteine hydrolase 0.0258 0.3126 0.9328
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0029 0.0191 0.0247
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.0313 0.1
Schistosoma mansoni 6-phosphofructokinase 0.0107 0.1187 0.1536
Echinococcus multilocularis musashi 0.0026 0.0161 0.0161
Trypanosoma cruzi S-adenosylhomocysteine hydrolase, putative 0.0258 0.3126 1
Leishmania major S-adenosylhomocysteine hydrolase 0.0258 0.3126 1
Echinococcus granulosus transcription factor Dp 1 0.0039 0.0318 0.1019
Brugia malayi Doublecortin family protein 0.002 0.0078 0.0101
Trichomonas vaginalis adenosylhomocysteinase, putative 0.0258 0.3126 0.4045
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0047 0.0428 0.0553
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.0313 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0021 0.0027
Trichomonas vaginalis adenosylhomocysteinase, putative 0.0081 0.0859 0.1112
Trichomonas vaginalis phosphofructokinase, putative 0.0107 0.1187 0.1536
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0617 0.0799
Toxoplasma gondii exonuclease III APE 0.0019 0.0066 0.0198
Schistosoma mansoni loxhd1 0.002 0.0078 0.0101
Schistosoma mansoni adenosylhomocysteinase 0.0258 0.3126 0.4045
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0191 0.0247
Brugia malayi RNA binding protein 0.0062 0.0617 0.0799
Loa Loa (eye worm) RNA binding protein 0.0062 0.0617 0.0799
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0047 0.0428 0.1368
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0236 0.2845 0.2845
Entamoeba histolytica adenosylhomocysteinase, putative 0.0258 0.3126 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0066 0.0066
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0066 0.0213
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0617 0.0799
Schistosoma mansoni ap endonuclease 0.0019 0.0066 0.0086
Schistosoma mansoni intermediate filament proteins 0.0026 0.0161 0.0208
Loa Loa (eye worm) glutaminase 0.0618 0.7727 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0047 0.0428 0.0553
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0066 0.0086
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0067 0.0679 0.0879
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0191 0.0247
Entamoeba histolytica acyl-CoA synthetase, putative 0.0047 0.0428 0.1368
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0221 0.2653 0.8487
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.025 0.08
Echinococcus granulosus tar DNA binding protein 0.0062 0.0617 0.1975
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0029 0.0191 0.061
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0029 0.0191 0.111
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0016 0.0021 0.0066
Echinococcus multilocularis adenosylhomocysteinase 0.0258 0.3126 0.3126
Schistosoma mansoni rab6-interacting 0.002 0.0078 0.0101
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0016 0.0021 0.0066
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.011 0.1224 0.3916
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0107 0.1187 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0047 0.0428 0.1368
Loa Loa (eye worm) hypothetical protein 0.0035 0.0275 0.0355
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0617 0.0799
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0066 0.0086
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0021 0.0066
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0142 0.1641 0.2124
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0617 0.0799
Loa Loa (eye worm) hypothetical protein 0.0026 0.0155 0.02
Echinococcus multilocularis dihydrofolate reductase 0.0112 0.1251 0.1251
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0078 0.0078
Mycobacterium tuberculosis Probable adenosylhomocysteinase SahH (S-adenosyl-L-homocysteine hydrolase) (adohcyase) 0.0258 0.3126 1
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0021 0.0061
Loa Loa (eye worm) hypothetical protein 0.0035 0.0275 0.0355
Plasmodium vivax 6-phosphofructokinase, putative 0.0029 0.0191 0.061
Entamoeba histolytica phosphofructokinase, putative 0.0107 0.1187 0.3796
Toxoplasma gondii 3-methyl-2-oxobutanoate hydroxymethyltransferase 0.0276 0.3351 1
Loa Loa (eye worm) dihydrofolate reductase 0.0112 0.1251 0.1619
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0161 0.0208
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.0357 0.1143
Loa Loa (eye worm) 6-phosphofructokinase 0.0107 0.1187 0.1536
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0066 0.0213
Schistosoma mansoni lipoxygenase 0.012 0.1354 0.1752
Mycobacterium ulcerans acyl-CoA synthetase 0.0047 0.0428 0.0553
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.0313 0.1
Echinococcus granulosus intermediate filament protein 0.0026 0.0161 0.0514
Brugia malayi Adenosylhomocysteinase 0.0258 0.3126 0.4045
Trichomonas vaginalis conserved hypothetical protein 0.0276 0.3351 0.4337
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0.0021 0.0066
Chlamydia trachomatis dihydrofolate reductase 0.0112 0.1251 1
Trichomonas vaginalis phosphofructokinase, putative 0.0107 0.1187 0.1536
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0004 0.0005
Plasmodium falciparum acyl-CoA synthetase 0.0035 0.0275 0.0879
Echinococcus granulosus lamin 0.0026 0.0161 0.0514
Plasmodium vivax adenosylhomocysteinase(S-adenosyl-L-homocystein e hydrolase), putative 0.0258 0.3126 1
Toxoplasma gondii 6-phosphofructokinase 0.0029 0.0191 0.0569
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0067 0.0679 0.2174
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0047 0.0428 0.0553
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0047 0.0428 0.0553
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0066 0.0213
Onchocerca volvulus 0.011 0.1224 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0035 0.0275 0.079
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0035 0.0275 0.0879
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0021 0.0021
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0047 0.0428 0.1368
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0107 0.1187 0.3796
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.025 0.08
Loa Loa (eye worm) hypothetical protein 0.0026 0.0161 0.0208
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0066 0.0213
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.04 0.0518
Loa Loa (eye worm) phosphofructokinase 0.0107 0.1187 0.1536
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0067 0.0679 0.0879
Brugia malayi 6-phosphofructokinase 0.0107 0.1187 0.1536
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0221 0.2653 0.7917
Schistosoma mansoni rab6-interacting 0.002 0.0078 0.0101
Schistosoma mansoni adenosylhomocysteinase 0.016 0.1866 0.2415
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0066 0.0086
Leishmania major 4-coumarate:coa ligase-like protein 0.0047 0.0428 0.1368
Echinococcus multilocularis RUN 0.002 0.0078 0.0078
Loa Loa (eye worm) glutaminase 2 0.0618 0.7727 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0066 0.0213
Mycobacterium tuberculosis Conserved hypothetical protein 0.0107 0.1188 0.38
Schistosoma mansoni lipoxygenase 0.0084 0.0893 0.1156
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0021 0.0066
Loa Loa (eye worm) acetyltransferase 0.0142 0.1641 0.2124
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.011 0.1224 0.1584
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0021 0.0061
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0107 0.1187 0.3796
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0021 0.0021
Echinococcus granulosus arachidonate 5 lipoxygenase 0.012 0.1354 0.4331
Mycobacterium tuberculosis Hypothetical protein 0.0052 0.0489 0.1565
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0236 0.2845 0.9102

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 1 uM Cytotoxicity against human SK-N-SH cells after 48 hrs by SRB assay ChEMBL. 20691507
IC50 (functional) = 1.1 uM Cytotoxicity against human HCT116 cells after 48 hrs by SRB assay ChEMBL. 20691507
IC50 (functional) = 1.11 uM Cytotoxicity against human A549 cells after 48 hrs by SRB assay ChEMBL. 20691507
IC50 (functional) = 1.13 uM Cytotoxicity against human DU145 cells after 48 hrs by SRB assay ChEMBL. 20691507
IC50 (functional) = 1.2 uM Cytotoxicity against human SK-BR-3 cells after 48 hrs by SRB assay ChEMBL. 20691507

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 20691507

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.

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