Detailed information for compound 235021

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 301.387 | Formula: C16H23N5O
  • H donors: 3 H acceptors: 3 LogP: 1.75 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1ncc(c(n1)N)CNC(=O)C12CC3CC(C2)CC(C1)C3
  • InChi: 1S/C16H23N5O/c17-13-12(8-20-15(18)21-13)7-19-14(22)16-4-9-1-10(5-16)3-11(2-9)6-16/h8-11H,1-7H2,(H,19,22)(H4,17,18,20,21)
  • InChiKey: NVCDXKPDOCNADW-UHFFFAOYSA-N  


Substructure search Similarity search

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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
Trypanosoma brucei pyruvate kinase 1, putative 0.0038 0.0262 0.3909
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0019 0.0066 0.0104
Trichomonas vaginalis glucosylceramidase, putative 0.0294 0.2919 0.4413
Echinococcus multilocularis lipoxygenase domain containing protein 0.0163 0.1561 0.1561
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0019 0.0066 0.0818
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0101 0.0921 0.092
Leishmania major pyruvate kinase 0.0038 0.0262 0.3909
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0075 0.0647 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0018 0.0055 0.0075
Schistosoma mansoni hypothetical protein 0.0033 0.0212 0.0212
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0019 0.0066 0.0092
Loa Loa (eye worm) hypothetical protein 0.0057 0.0458 0.1547
Brugia malayi Cytochrome P450 family protein 0.0019 0.0066 0.0199
Onchocerca volvulus 0.0163 0.1561 0.5769
Brugia malayi PHD-finger family protein 0.0033 0.0212 0.0701
Brugia malayi Bromodomain containing protein 0.006 0.0494 0.1669
Trichomonas vaginalis pyruvate kinase, putative 0.0038 0.0262 0.0376
Loa Loa (eye worm) cytochrome P450 0.0019 0.0066 0.02
Loa Loa (eye worm) hypothetical protein 0.0047 0.0353 0.1186
Echinococcus granulosus RUN 0.0163 0.1561 0.1561
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0019 0.0066 0.0092
Echinococcus granulosus zinc finger protein 0.0019 0.0062 0.0062
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0014 0.0014 0.0014
Giardia lamblia Fructose-bisphosphate aldolase 0.0648 0.6597 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0109 0.0996 0.0995
Schistosoma mansoni pyruvate kinase 0.0038 0.0262 0.0261
Echinococcus multilocularis pyruvate kinase 0.003 0.0179 0.0178
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0648 0.6597 1
Echinococcus multilocularis Polycystic kidney disease protein 0.0163 0.1561 0.1561
Giardia lamblia PHD finger protein 15 0.0033 0.0212 0.0301
Schistosoma mansoni ap endonuclease 0.0014 0.0014 0.0014
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0317 0.3155 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.016 0.1532 0.1532
Onchocerca volvulus 0.027 0.2666 1
Onchocerca volvulus 0.0034 0.022 0.0632
Entamoeba histolytica acyl-coA synthetase, putative 0.0018 0.0055 0.0062
Loa Loa (eye worm) cytochrome P450 family protein 0.006 0.0494 0.1669
Loa Loa (eye worm) hypothetical protein 0.0035 0.0227 0.0753
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0019 0.0066 0.0104
Schistosoma mansoni rab6-interacting 0.0163 0.1561 0.1561
Entamoeba histolytica acyl-CoA synthetase, putative 0.0018 0.0055 0.0062
Trichomonas vaginalis glucosylceramidase, putative 0.0193 0.1869 0.2819
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0019 0.0066 0.0104
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0017 0.0043 0.0043
Echinococcus multilocularis pyruvate kinase 0.0019 0.007 0.0069
Toxoplasma gondii PHD-finger domain-containing protein 0.0033 0.0212 0.5271
Echinococcus granulosus lipoxygenase domain containing protein 0.0163 0.1561 0.1561
Schistosoma mansoni cytochrome P450 0.0019 0.0066 0.0065
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0017 0.0043 0.0043
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0019 0.0066 0.0092
Entamoeba histolytica acyl-CoA synthetase, putative 0.0018 0.0055 0.0062
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0101 0.0921 0.3136
Brugia malayi Pre-SET motif family protein 0.0034 0.022 0.0729
Brugia malayi Pre-SET motif family protein 0.0237 0.2326 0.7965
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0648 0.6597 1
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0019 0.0066 0.0092
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0294 0.2919 1
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0019 0.0066 0.0104
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0075 0.0647 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0648 0.6597 1
Plasmodium falciparum LCCL domain-containing protein 0.0163 0.1561 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.005 0.039 0.057
Schistosoma mansoni lipoxygenase 0.0682 0.6951 0.6951
Echinococcus granulosus pyruvate kinase 0.0019 0.007 0.0069
Onchocerca volvulus Pyruvate kinase homolog 0.0038 0.0262 0.0791
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0019 0.0066 0.0092
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0019 0.0066 0.0818
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0019 0.0066 0.0104
Toxoplasma gondii pyruvate kinase PyKII 0.0019 0.007 0.1485
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0018 0.0055 0.0075
Echinococcus granulosus cytochrome P450 2K1 0.0019 0.0066 0.0065
Echinococcus granulosus pyruvate kinase 0.0038 0.0262 0.0261
Loa Loa (eye worm) hypothetical protein 0.0018 0.0055 0.0163
Trichomonas vaginalis glucosylceramidase, putative 0.0193 0.1869 0.2819
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0075 0.0647 0.0962
Loa Loa (eye worm) pyruvate kinase 0.0038 0.0262 0.0872
Trichomonas vaginalis glucosylceramidase, putative 0.0193 0.1869 0.2819
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0014 0.0014 0.001
Plasmodium falciparum histone acetyltransferase GCN5 0.0044 0.0329 0.2069
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0019 0.0066 0.0092
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0018 0.0055 0.0075
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0019 0.0066 0.0104
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0019 0.0066 0.0818
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0019 0.0066 0.0104
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0648 0.6597 1
Brugia malayi hypothetical protein 0.0163 0.1561 0.5337
Entamoeba histolytica acetyltransferase, GNAT family 0.0044 0.0329 0.0479
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0019 0.0066 0.0104
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0047 0.0353 0.0353
Mycobacterium ulcerans acyl-CoA synthetase 0.0018 0.0055 0.0075
Trichomonas vaginalis pyruvate kinase, putative 0.0038 0.0262 0.0376
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0101 0.0921 0.092
Plasmodium vivax SET domain protein, putative 0.0034 0.022 0.1368
Loa Loa (eye worm) hypothetical protein 0.0018 0.0055 0.0163
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0237 0.2326 0.7965
Plasmodium vivax multidomain scavenger receptor, putative 0.0163 0.1561 1
Plasmodium falciparum phd finger protein, putative 0.0033 0.0212 0.1315
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.0055 0.0075
Echinococcus multilocularis zinc finger protein 0.0019 0.0062 0.0062
Schistosoma mansoni ap endonuclease 0.0014 0.0014 0.0014
Chlamydia trachomatis pyruvate kinase 0.0038 0.0262 1
Brugia malayi jmjC domain containing protein 0.0109 0.0996 0.3393
Treponema pallidum fructose-bisphosphate aldolase 0.0648 0.6597 1
Loa Loa (eye worm) PHD-finger family protein 0.0033 0.0212 0.0702
Trypanosoma cruzi cytochrome P450, putative 0.0029 0.0164 0.2369
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0018 0.0055 0.0075
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0101 0.0921 0.092
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0019 0.0066 0.0092
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0101 0.0921 0.092
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0075 0.0647 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.0163 0.1561 0.1561
Trichomonas vaginalis set domain proteins, putative 0.027 0.2666 0.4029
Brugia malayi Doublecortin family protein 0.0163 0.1561 0.5337
Loa Loa (eye worm) acetyltransferase 0.0167 0.1598 0.5464
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0019 0.0066 0.0092
Leishmania major cytochrome p450-like protein 0.0019 0.0066 0.0818
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0018 0.0055 0.0087
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0019 0.0066 0.0104
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0019 0.0066 0.0092
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0034 0.022 0.022
Schistosoma mansoni hypothetical protein 0.0163 0.1561 0.1561
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0013 0.0008 0.0012
Schistosoma mansoni pyruvate kinase 0.0038 0.0262 0.0261
Onchocerca volvulus Glucosylceramidase homolog 0.0193 0.1869 0.6949
Toxoplasma gondii PHD-finger domain-containing protein 0.0033 0.0212 0.5271
Loa Loa (eye worm) hypothetical protein 0.0026 0.0142 0.0463
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.005 0.039 0.057
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0014 0.0014 0.0022
Trichomonas vaginalis glucosylceramidase, putative 0.0294 0.2919 0.4413
Loa Loa (eye worm) hypothetical protein 0.0018 0.0055 0.0163
Schistosoma mansoni rab6-interacting 0.0163 0.1561 0.1561
Loa Loa (eye worm) cytochrome P450 family protein 0.0029 0.0164 0.0537
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0019 0.0066 0.0092
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0101 0.0921 0.092
Mycobacterium leprae Probable pyruvate kinase PykA 0.0038 0.0262 0.0666
Leishmania major cytochrome p450-like protein 0.0019 0.0066 0.0818
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0317 0.3155 0.4979
Schistosoma mansoni bromodomain containing protein 0.0052 0.0402 0.0402
Echinococcus granulosus PHD finger protein rhinoceros 0.0033 0.0212 0.0212
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0019 0.0066 0.0104
Leishmania major pyruvate kinase 0.0038 0.0262 0.3909
Echinococcus granulosus fetal alzheimer antigen falz 0.0017 0.0043 0.0043
Mycobacterium leprae Conserved hypothetical protein 0.0019 0.0066 0.0035
Echinococcus granulosus jumonji domain containing protein 0.0046 0.0347 0.0346
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0019 0.0066 0.0818
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0019 0.0066 0.0092
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0976 1 1
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0019 0.0066 0.0104
Loa Loa (eye worm) pyruvate kinase 0.0038 0.0262 0.0872
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0055 0.0087
Echinococcus granulosus Polycystic kidney disease protein 0.0163 0.1561 0.1561
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0014 0.0014 0.0041
Trichomonas vaginalis glucosylceramidase, putative 0.0193 0.1869 0.2819
Mycobacterium ulcerans hypothetical protein 0.0018 0.0055 0.0075
Brugia malayi AMP-binding enzyme family protein 0.0018 0.0055 0.0162
Brugia malayi Cytochrome P450 family protein 0.0029 0.0164 0.0536
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0019 0.0066 0.0104
Trypanosoma cruzi pyruvate kinase 2, putative 0.0038 0.0262 0.3909
Schistosoma mansoni jumonji domain containing protein 0.0086 0.0764 0.0763
Trypanosoma brucei cytochrome P450, putative 0.0029 0.0164 0.2369
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0014 0.0014 0.0041
Schistosoma mansoni jumonji/arid domain-containing protein 0.0042 0.0299 0.0299
Entamoeba histolytica pyruvate kinase, putative 0.0026 0.0142 0.0195
Echinococcus multilocularis pyruvate kinase 0.0019 0.007 0.0069
Onchocerca volvulus Pyruvate kinase homolog 0.0038 0.0262 0.0791
Leishmania major 4-coumarate:coa ligase-like protein 0.0018 0.0055 0.0648
Mycobacterium tuberculosis Possible haloalkane dehalogenase DhaA (1-chlorohexane halidohydrolase) 0.0623 0.6336 1
Echinococcus multilocularis transcription factor Dp 1 0.0043 0.0319 0.0319
Trichomonas vaginalis glucosylceramidase, putative 0.0193 0.1869 0.2819
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0167 0.1598 0.1598
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0101 0.0921 0.3136
Echinococcus granulosus histone acetyltransferase KAT2B 0.005 0.039 0.0389
Loa Loa (eye worm) jmjC domain-containing protein 0.0042 0.0299 0.1002
Trichomonas vaginalis glucosylceramidase, putative 0.0294 0.2919 0.4413
Brugia malayi hypothetical protein 0.0163 0.1561 0.5337
Leishmania major 4-coumarate:coa ligase-like protein 0.0018 0.0055 0.0648
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0038 0.0262 0.0413
Loa Loa (eye worm) CYP4Cod1 0.0029 0.0164 0.0537
Brugia malayi AMP-binding enzyme family protein 0.0018 0.0055 0.0162
Brugia malayi cytochrome P450 0.0019 0.0066 0.0199
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0019 0.0066 0.0104
Schistosoma mansoni pyruvate kinase 0.0019 0.007 0.0069
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0109 0.0996 0.0995
Trypanosoma cruzi pyruvate kinase 2, putative 0.0038 0.0262 0.3909
Echinococcus multilocularis microtubule associated protein 2 0.0785 0.802 0.802
Brugia malayi Cytochrome P450 family protein 0.0029 0.0164 0.0536
Plasmodium vivax pyruvate kinase, putative 0.0038 0.0262 0.1634
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0019 0.0066 0.0104
Onchocerca volvulus Alhambra homolog 0.0033 0.0212 0.0601
Loa Loa (eye worm) PHD-finger family protein 0.0015 0.0028 0.0071
Trichomonas vaginalis glucosylceramidase, putative 0.0203 0.1977 0.2982
Mycobacterium ulcerans acyl-CoA synthetase 0.0018 0.0055 0.0075
Echinococcus granulosus lysine specific demethylase 5A 0.0042 0.0299 0.0299
Trichomonas vaginalis glucosylceramidase, putative 0.0203 0.1977 0.2982
Loa Loa (eye worm) cytochrome P450 family protein 0.0029 0.0164 0.0537
Echinococcus multilocularis pyruvate kinase 0.0038 0.0262 0.0261
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0648 0.6597 1
Echinococcus granulosus peregrin 0.0039 0.0272 0.0272
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0014 0.0014 0.0014
Echinococcus multilocularis RUN 0.0163 0.1561 0.1561
Mycobacterium ulcerans pyruvate kinase 0.0038 0.0262 0.0401
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0167 0.1598 0.1598
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0029 0.0164 0.0247
Brugia malayi Pyruvate kinase, muscle isozyme 0.0038 0.0262 0.0872
Giardia lamblia Pyruvate kinase 0.0019 0.007 0.0085
Loa Loa (eye worm) doublecortin family protein 0.0163 0.1561 0.5338
Loa Loa (eye worm) hypothetical protein 0.0053 0.0418 0.1411
Mycobacterium ulcerans haloalkane dehalogenase 0.0623 0.6336 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0101 0.0921 0.092
Onchocerca volvulus Pyruvate kinase homolog 0.0038 0.0262 0.0791
Trypanosoma cruzi cytochrome P450, putative 0.0029 0.0164 0.2369
Loa Loa (eye worm) hypothetical protein 0.0036 0.0242 0.0804
Mycobacterium leprae putative cytochrome p450 0.0019 0.0066 0.0035
Loa Loa (eye worm) pyruvate kinase 0.0038 0.0262 0.0872
Echinococcus multilocularis jumonji domain containing protein 0.0046 0.0347 0.0346
Echinococcus granulosus transcription factor Dp 1 0.0043 0.0319 0.0319
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0034 0.022 0.549
Onchocerca volvulus 0.0163 0.1561 0.5769
Trichomonas vaginalis glucosylceramidase, putative 0.0294 0.2919 0.4413
Echinococcus granulosus lipoxygenase domain containing protein 0.0163 0.1561 0.1561
Trichomonas vaginalis glucosylceramidase, putative 0.0193 0.1869 0.2819
Echinococcus multilocularis peregrin 0.0039 0.0272 0.0272
Schistosoma mansoni hypothetical protein 0.0019 0.0066 0.0065
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0294 0.2919 1
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0019 0.0066 0.0818
Echinococcus multilocularis 0.0019 0.0066 0.0065
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0019 0.0066 0.0104
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0075 0.0647 0.2197
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0049 0.0375 0.0374
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0049 0.0375 0.0374
Brugia malayi Bromodomain containing protein 0.0039 0.0272 0.0908
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0034 0.022 0.022
Echinococcus multilocularis pyruvate kinase 0.0019 0.007 0.0069
Trichomonas vaginalis glucosylceramidase, putative 0.0193 0.1869 0.2819
Echinococcus multilocularis PHD finger protein rhinoceros 0.0033 0.0212 0.0212
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0019 0.0066 0.0092
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0019 0.0066 0.0092
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0075 0.0647 0.0647
Echinococcus granulosus microtubule associated protein 2 0.0785 0.802 0.802
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0033 0.0212 0.0212
Brugia malayi PHD-finger family protein 0.0023 0.0104 0.0328
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0047 0.0353 0.0353
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.022 0.022
Schistosoma mansoni hypothetical protein 0.0015 0.0028 0.0028
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0101 0.0921 0.092
Plasmodium falciparum pyruvate kinase 2 0.0019 0.007 0.04
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0019 0.0066 0.0104
Echinococcus granulosus pyruvate kinase 0.0019 0.007 0.0069
Brugia malayi acetyltransferase, GNAT family protein 0.0167 0.1598 0.5464
Schistosoma mansoni zinc finger protein 0.0019 0.0062 0.0062
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0033 0.0207 0.0207
Trypanosoma brucei pyruvate kinase 1 0.0038 0.0262 0.3909
Brugia malayi exodeoxyribonuclease III family protein 0.0014 0.0014 0.0021
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0019 0.0066 0.0104
Trichomonas vaginalis glucosylceramidase, putative 0.0294 0.2919 0.4413
Plasmodium falciparum pyruvate kinase 0.0038 0.0262 0.1634
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0075 0.0647 0.0647
Echinococcus granulosus pyruvate kinase 0.0019 0.007 0.0069
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0027 0.0147 0.0147
Leishmania major 4-coumarate:coa ligase-like protein 0.0018 0.0055 0.0648
Brugia malayi AMP-binding enzyme family protein 0.0018 0.0055 0.0162
Toxoplasma gondii pyruvate kinase PyK1 0.0038 0.0262 0.6594
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0014 0.0014 0.5
Schistosoma mansoni polycystin 1-related 0.0163 0.1561 0.1561
Echinococcus granulosus pyruvate kinase 0.0038 0.0262 0.0261
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0019 0.0066 0.0104
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.005 0.039 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0047 0.0353 0.0353
Echinococcus granulosus histone lysine methyltransferase setb 0.0047 0.0353 0.0353
Brugia malayi jmjC domain containing protein 0.0042 0.0299 0.1001
Leishmania major cytochrome p450-like protein 0.0029 0.0164 0.2369
Brugia malayi Pyruvate kinase, M2 isozyme 0.0038 0.0262 0.0872
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0019 0.0066 0.0092
Toxoplasma gondii cytochrome p450 superfamily protein 0.0019 0.0066 0.138
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0019 0.0066 0.0104
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0648 0.6597 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0014 0.0014 0.0022
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0648 0.6597 1
Plasmodium vivax hypothetical protein, conserved 0.0033 0.0212 0.1315
Loa Loa (eye worm) hypothetical protein 0.0163 0.1561 0.5338
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0019 0.0066 0.0092
Giardia lamblia Pyruvate kinase 0.0038 0.0262 0.0376
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0019 0.0066 0.0092
Loa Loa (eye worm) pyruvate kinase-PB 0.0026 0.0142 0.0463
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0019 0.0066 0.0092
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0648 0.6597 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0027 0.0147 0.0147
Trichomonas vaginalis glucosylceramidase, putative 0.0294 0.2919 0.4413
Schistosoma mansoni lipoxygenase 0.0976 1 1
Plasmodium vivax histone acetyltransferase GCN5, putative 0.005 0.039 0.2458
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0075 0.0647 1
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0317 0.3155 0.4973
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0019 0.0066 0.0092
Brugia malayi Bromodomain containing protein 0.0033 0.0208 0.0687
Loa Loa (eye worm) hypothetical protein 0.0038 0.0262 0.0872
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0019 0.0066 0.0092
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0019 0.0066 0.0104
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0019 0.0066 0.0092
Echinococcus multilocularis pyruvate kinase 0.0038 0.0262 0.0261
Brugia malayi Cytochrome P450 family protein 0.006 0.0494 0.1669
Loa Loa (eye worm) jmjC domain-containing protein 0.0068 0.0579 0.1962
Loa Loa (eye worm) hypothetical protein 0.0033 0.0212 0.0702
Schistosoma mansoni jumonji/arid domain-containing protein 0.0042 0.0299 0.0299
Giardia lamblia Histone acetyltransferase GCN5 0.0044 0.0329 0.0479
Schistosoma mansoni microtubule-associated protein tau 0.0785 0.802 0.802
Loa Loa (eye worm) hypothetical protein 0.0029 0.0166 0.0545
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0075 0.0647 0.2198
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0075 0.0647 0.0647
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0648 0.6597 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0648 0.6597 1
Plasmodium vivax pyruvate kinase 2, putative 0.0019 0.007 0.04
Echinococcus multilocularis lysine specific demethylase 5A 0.004 0.0284 0.0284
Loa Loa (eye worm) hypothetical protein 0.0163 0.1561 0.5338
Schistosoma mansoni loxhd1 0.0163 0.1561 0.1561
Loa Loa (eye worm) bromodomain containing protein 0.0017 0.0047 0.0135
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.005 0.039 1

Activities

Activity type Activity value Assay description Source Reference
ID50 (functional) = 3.9 M Evaluated for the concentration needed for 50% growth inhibition of mouse mammary adenocarcinoma cells (TA3) in culture. ChEMBL. 7069721
ID50 (functional) = 3.9 M Evaluated for the concentration needed for 50% growth inhibition of mouse mammary adenocarcinoma cells (TA3) in culture. ChEMBL. 7069721

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.
 
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External resources for this compound

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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