Detailed information for compound 1410763

Basic information

Technical information
  • TDR Targets ID: 1410763
  • Name: N-(cycloheptylideneamino)-N'-(1-phenylethyl)o xamide
  • MW: 301.383 | Formula: C17H23N3O2
  • H donors: 2 H acceptors: 2 LogP: 2.87 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(=O)NC(c1ccccc1)C)NN=C1CCCCCC1
  • InChi: 1S/C17H23N3O2/c1-13(14-9-5-4-6-10-14)18-16(21)17(22)20-19-15-11-7-2-3-8-12-15/h4-6,9-10,13H,2-3,7-8,11-12H2,1H3,(H,18,21)(H,20,22)
  • InChiKey: MFDDKPXRWWRPTI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(cycloheptylideneamino)-N'-(1-phenylethyl)ethanediamide
  • SMR000175684
  • 2-(N'-Cycloheptylidene-hydrazino)-2-oxo-N-(1-phenyl-ethyl)-acetamide
  • BAS 00645640
  • MLS000553321

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4E 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
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus dnaJ subfamily B 0.0413 0.3977 1
Plasmodium vivax hypothetical protein, conserved 0.0021 0.0119 0.0081
Trypanosoma brucei zeta tubulin, putative 0.0033 0.0241 0.0556
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0021 0.0119 0.0081
Trypanosoma cruzi tubulin gamma chain 0.0077 0.067 0.2226
Schistosoma mansoni hypothetical protein 0.0413 0.3977 1
Schistosoma mansoni transient receptor potential channel 0.0096 0.0856 0.2108
Echinococcus multilocularis lysine specific demethylase 6a 0.0019 0.0098 0.0126
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0022 0.0028
Trichomonas vaginalis tubulin beta-1 chain, putative 0.0033 0.0241 0.0539
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0021 0.0119 0.0246
Leishmania major alpha tubulin 0.0143 0.1321 0.4758
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0278 0.2647 1
Brugia malayi Tubulin alpha chain 0.0033 0.0241 0.0238
Giardia lamblia Beta tubulin 0.0077 0.067 0.2165
Trypanosoma brucei alpha tubulin 0.0143 0.1321 0.4758
Trichomonas vaginalis glucosylceramidase, putative 0.0166 0.1542 0.625
Echinococcus multilocularis short transient receptor potential channel 6 0.0063 0.0536 0.0687
Schistosoma mansoni alpha tubulin 0.0143 0.1321 0.3284
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0252 0.2397 0.3244
Echinococcus multilocularis tubulin alpha chain 0.0143 0.1321 0.1694
Toxoplasma gondii beta-tubulin, putative 0.0077 0.067 0.2226
Echinococcus multilocularis phd:f box containing protein 0.0019 0.0098 0.0126
Plasmodium falciparum alpha tubulin 1 0.0143 0.1321 0.4758
Schistosoma mansoni cpg binding protein 0.0029 0.0197 0.0444
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.028 0.2667 1
Leishmania major beta tubulin 0.0077 0.067 0.2226
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0098 0.0338
Trichomonas vaginalis glucosylceramidase, putative 0.0252 0.2397 1
Trichomonas vaginalis tubulin beta chain, putative 0.0077 0.067 0.2422
Trichomonas vaginalis tubulin, putative 0.0044 0.0341 0.0977
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.0826 0.2076
Schistosoma mansoni tubulin subunit epsilon 0.0077 0.067 0.1639
Leishmania major alpha tubulin 0.0143 0.1321 0.4758
Echinococcus granulosus lysine specific demethylase 6a 0.0019 0.0098 0.0247
Trypanosoma brucei beta tubulin 0.0077 0.067 0.2226
Echinococcus multilocularis jumonji domain containing 1A 0.0019 0.0098 0.0126
Mycobacterium ulcerans cell division protein FtsZ 0.0033 0.0241 0.0446
Echinococcus multilocularis Tubulin alpha 1 chain 0.0143 0.1321 0.1694
Trypanosoma cruzi zeta tubulin, putative 0.0033 0.0241 0.0556
Trichomonas vaginalis tubulin gamma chain, putative 0.0077 0.067 0.2422
Brugia malayi jmjC domain containing protein 0.0071 0.0611 0.0754
Plasmodium vivax importin-beta 2, putative 0.0028 0.0192 0.0365
Trichomonas vaginalis glucosylceramidase, putative 0.0166 0.1542 0.625
Loa Loa (eye worm) tubulin beta chain 0.0077 0.067 0.2306
Brugia malayi jmjC domain containing protein 0.0019 0.0098 0.0039
Loa Loa (eye worm) tubulin beta-2A chain 0.0077 0.067 0.2306
Echinococcus multilocularis tubulin epsilon chain 0.0077 0.067 0.0859
Echinococcus granulosus tubulin alpha chain 0.0143 0.1321 0.3321
Giardia lamblia Beta tubulin 0.0077 0.067 0.2165
Trypanosoma cruzi alpha tubulin, putative 0.0143 0.1321 0.4758
Schistosoma mansoni transient receptor potential channel 0.0063 0.0536 0.13
Echinococcus multilocularis tubulin alpha 1C chain 0.0143 0.1321 0.1694
Schistosoma mansoni hypothetical protein 0.0033 0.0234 0.0538
Wolbachia endosymbiont of Brugia malayi cell division protein FtsZ 0.0033 0.0241 0.5
Plasmodium falciparum alpha tubulin 2 0.0143 0.1321 0.4758
Giardia lamblia Epsilon tubulin 0.0033 0.0241 0.0482
Echinococcus multilocularis tubulin beta 1 chain 0.0077 0.067 0.0859
Echinococcus multilocularis peroxisome assembly protein 26 0.0143 0.1321 0.1694
Leishmania major alpha tubulin 0.0143 0.1321 0.4758
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0157 0.0228
Echinococcus multilocularis Tubulin beta 2C chain 0.0077 0.067 0.0859
Loa Loa (eye worm) hypothetical protein 0.0104 0.0931 0.3206
Echinococcus granulosus tubulin gamma 1 chain 0.0077 0.067 0.1685
Schistosoma mansoni ran 0.0021 0.0118 0.0244
Loa Loa (eye worm) hypothetical protein 0.0032 0.0231 0.0796
Schistosoma mansoni protein phosphatase 2C 0.0019 0.0098 0.0194
Mycobacterium tuberculosis Cell division protein FtsZ 0.0033 0.0241 0.0482
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0118 0.0077
Trichomonas vaginalis glucosylceramidase, putative 0.0252 0.2397 1
Loa Loa (eye worm) tubulin alpha 2 0.011 0.0991 0.3413
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0157 0.0228
Echinococcus granulosus Tubulin beta 2C chain 0.0077 0.067 0.1685
Plasmodium falciparum tubulin delta chain, putative 0.0033 0.0241 0.0556
Schistosoma mansoni tubulin subunit gamma 0.0077 0.067 0.1639
Echinococcus granulosus lysine specific histone demethylase 1A 0.0021 0.0119 0.0299
Brugia malayi CXXC zinc finger family protein 0.0029 0.0197 0.0177
Brugia malayi Tubulin beta chain 0.0044 0.0341 0.0377
Brugia malayi amine oxidase, flavin-containing family protein 0.0021 0.0119 0.0068
Schistosoma mansoni tubulin subunit beta 0.0077 0.067 0.1639
Plasmodium vivax hypothetical protein, conserved 0.0021 0.0119 0.0081
Schistosoma mansoni tubulin subunit alpha 0.0033 0.0241 0.0554
Trichomonas vaginalis glucosylceramidase, putative 0.0166 0.1542 0.625
Schistosoma mansoni tubulin subunit alpha 0.0143 0.1321 0.3284
Trichomonas vaginalis glucosylceramidase, putative 0.0166 0.1542 0.625
Brugia malayi latrophilin 2 splice variant baaae 0.0071 0.0609 0.0751
Loa Loa (eye worm) hypothetical protein 0.0019 0.0098 0.0338
Echinococcus multilocularis tubulin alpha chain 0.0143 0.1321 0.1694
Trichomonas vaginalis tubulin gamma chain, putative 0.0033 0.0241 0.0539
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0197 0.0679
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0022 0.0054
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0118 0.0406
Echinococcus granulosus tubulin alpha chain 0.0143 0.1321 0.3321
Schistosoma mansoni tubulin subunit beta 0.0077 0.067 0.1639
Leishmania major delta tubulin, putative 0.0033 0.0241 0.0556
Schistosoma mansoni tubulin subunit beta 0.0077 0.067 0.1639
Trypanosoma brucei telomerase reverse transcriptase 0.028 0.2667 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0077 0.067 0.0859
Brugia malayi tubulin alpha chain - mouse 0.0143 0.1321 0.1743
Trypanosoma brucei alpha tubulin 0.0143 0.1321 0.4758
Leishmania major beta tubulin 0.0077 0.067 0.2226
Trypanosoma brucei zeta tubulin 0.0033 0.0241 0.0556
Trichomonas vaginalis tubulin epsilon chain, putative 0.0077 0.067 0.2422
Echinococcus granulosus Tubulin beta 2C chain 0.0077 0.067 0.1685
Leishmania major hypothetical protein, conserved 0.0025 0.0157 0.0228
Trypanosoma brucei epsilon tubulin 0.0077 0.067 0.2226
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0077 0.067 0.2226
Leishmania major importin beta-1 subunit, putative 0.0023 0.0139 0.0159
Schistosoma mansoni cpg binding protein 0.0031 0.0213 0.0485
Treponema pallidum cell division protein FtsZ 0.0033 0.0241 0.5
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0118 0.0067
Echinococcus multilocularis cpg binding protein 0.0031 0.0213 0.0274
Schistosoma mansoni importin beta-1 0.0028 0.0192 0.0431
Echinococcus multilocularis dnaJ subfamily B 0.0413 0.3977 0.51
Leishmania major alpha tubulin 0.0143 0.1321 0.4758
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0234 0.0229
Schistosoma mansoni tubulin subunit beta 0.0033 0.0241 0.0554
Leishmania major GTP-binding protein, putative 0.0021 0.0118 0.0077
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0098 0.0338
Echinococcus granulosus Tubulin beta 2C chain 0.0077 0.067 0.1685
Echinococcus multilocularis JmjC domain containing protein 4 0.0019 0.0098 0.0126
Trichomonas vaginalis glucosylceramidase, putative 0.0166 0.1542 0.625
Trypanosoma brucei beta tubulin 0.0077 0.067 0.2226
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0234 0.0229
Plasmodium falciparum protoporphyrinogen oxidase 0.0021 0.0119 0.0081
Echinococcus multilocularis GPCR, family 2 0.0033 0.0234 0.0301
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.0611 0.0784
Echinococcus multilocularis tubulin gamma 1 chain 0.0077 0.067 0.0859
Brugia malayi jmjC domain containing protein 0.0073 0.0627 0.0777
Trypanosoma brucei tubulin gamma chain 0.0077 0.067 0.2226
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0157 0.0228
Trichomonas vaginalis tubulin gamma chain, putative 0.0077 0.067 0.2422
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0118 0.0077
Echinococcus granulosus transient receptor potential gamma protein 0.0096 0.0856 0.2151
Brugia malayi alpha-tubulin 0.0143 0.1321 0.1743
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0234 0.0589
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0021 0.0114 0.0147
Loa Loa (eye worm) hypothetical protein 0.0033 0.0234 0.0807
Leishmania major alpha tubulin 0.0143 0.1321 0.4758
Loa Loa (eye worm) alpha-tubulin 0.0143 0.1321 0.4546
Echinococcus granulosus lysine specific histone demethylase 1A 0.0021 0.0119 0.0299
Toxoplasma gondii alpha tubulin TUBA1 0.0143 0.1321 0.4758
Loa Loa (eye worm) hypothetical protein 0.0021 0.0119 0.0409
Loa Loa (eye worm) BEN-1 protein 0.0077 0.067 0.2306
Loa Loa (eye worm) tubulin gamma chain 0.0077 0.067 0.2306
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.0517 0.1253
Loa Loa (eye worm) tubulin alpha chain 0.0143 0.1321 0.4546
Echinococcus granulosus short transient receptor potential channel 6 0.0063 0.0536 0.1348
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0234 0.0301
Loa Loa (eye worm) hypothetical protein 0.0036 0.0263 0.0904
Loa Loa (eye worm) hypothetical protein 0.0021 0.0119 0.0409
Trypanosoma brucei beta tubulin 0.0077 0.067 0.2226
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0234 0.0807
Entamoeba histolytica tubulin family protein 0.0077 0.067 0.459
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0118 0.0077
Loa Loa (eye worm) hypothetical protein 0.0021 0.0119 0.0409
Brugia malayi jmjC domain containing protein 0.0019 0.0098 0.0039
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0104 0.0931 0.3206
Leishmania major epsilon tubulin, putative 0.0077 0.067 0.2226
Echinococcus granulosus tubulin alpha chain 0.0143 0.1321 0.3321
Leishmania major alpha tubulin 0.0143 0.1321 0.4758
Echinococcus granulosus cpg binding protein 0.0031 0.0213 0.0537
Giardia lamblia Telomerase catalytic subunit 0.028 0.2667 1
Schistosoma mansoni transient receptor potential channel 4 0.0096 0.0856 0.2108
Loa Loa (eye worm) tubulin beta-4 chain 0.0077 0.067 0.2306
Loa Loa (eye worm) hypothetical protein 0.0143 0.1321 0.4546
Echinococcus granulosus tubulin delta chain 0.0033 0.0241 0.0606
Trypanosoma brucei alpha tubulin, putative 0.0044 0.0341 0.0944
Echinococcus granulosus Tubulin beta 2C chain 0.0077 0.067 0.1685
Echinococcus granulosus tubulin subunit beta 0.0077 0.067 0.1685
Trichomonas vaginalis tubulin alpha chain, putative 0.0077 0.067 0.2422
Echinococcus multilocularis Tubulin beta 2C chain 0.0077 0.067 0.0859
Schistosoma mansoni hypothetical protein 0.0071 0.0609 0.1485
Brugia malayi jmjC domain containing protein 0.0019 0.0098 0.0039
Trichomonas vaginalis tubulin alpha chain, putative 0.0077 0.067 0.2422
Brugia malayi hypothetical protein 0.0021 0.0119 0.0068
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0139 0.0092
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.0826 0.1059
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0139 0.0159
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.0826 0.1059
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0118 0.0077
Toxoplasma gondii histone lysine-specific demethylase 0.0021 0.0119 0.0081
Trypanosoma cruzi UDP-galactopyranose mutase 0.0021 0.0119 0.0081
Echinococcus granulosus tubulin alpha 1C chain 0.0143 0.1321 0.3321
Leishmania major beta tubulin 0.0077 0.067 0.2226
Trichomonas vaginalis tubulin, putative 0.0033 0.0241 0.0539
Brugia malayi Importin beta-1 subunit 0.0028 0.0192 0.017
Loa Loa (eye worm) hypothetical protein 0.0021 0.0119 0.0409
Echinococcus multilocularis tubulin alpha 1C chain 0.0143 0.1321 0.1694
Plasmodium falciparum importin beta, putative 0.0028 0.0192 0.0365
Echinococcus multilocularis Tubulin alpha 1 chain 0.0143 0.1321 0.1694
Brugia malayi tubulin alpha-2 chain 0.0143 0.1321 0.1743
Brugia malayi Tubulin alpha chain 0.0143 0.1321 0.1743
Trichomonas vaginalis glucosylceramidase, putative 0.0252 0.2397 1
Brugia malayi Tubulin beta-1 chain 0.0077 0.067 0.0836
Loa Loa (eye worm) alpha-tubulin isotype 2 0.011 0.0991 0.3413
Loa Loa (eye worm) tubulin alpha 2 0.0066 0.0562 0.1936
Echinococcus granulosus phd:f box containing protein 0.0019 0.0098 0.0247
Trypanosoma cruzi UDP-galactopyranose mutase 0.0021 0.0119 0.0081
Echinococcus multilocularis tubulin alpha chain 0.0143 0.1321 0.1694
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0299 0.2855 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0157 0.054
Leishmania major beta tubulin 0.0077 0.067 0.2226
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0019 0.0098 0.0194
Brugia malayi RNA, U transporter 1 0.0081 0.0709 0.0891
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0627 0.216
Loa Loa (eye worm) hypothetical protein 0.0028 0.0192 0.0661
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0021 0.0119 0.0246
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0118 0.0297
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0234 0.0301
Schistosoma mansoni cpg binding protein 0.0031 0.0213 0.0485
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0157 0.0228
Schistosoma mansoni hypothetical protein 0.0033 0.0234 0.0538
Trichomonas vaginalis glucosylceramidase, putative 0.0252 0.2397 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0073 0.0627 0.1532
Echinococcus granulosus JmjC domain containing protein 4 0.0019 0.0098 0.0247
Loa Loa (eye worm) hypothetical protein 0.0096 0.0856 0.2945
Brugia malayi Tubulin beta chain 0.0033 0.0241 0.0238
Schistosoma mansoni amine oxidase 0.0021 0.0119 0.0246
Echinococcus granulosus tubulin beta 4A class IVa 0.0077 0.067 0.1685
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.0826 0.2033
Loa Loa (eye worm) hypothetical protein 0.006 0.0504 0.1737
Plasmodium falciparum tubulin beta chain 0.0077 0.067 0.2226
Trichomonas vaginalis tubulin beta chain, putative 0.0044 0.0341 0.0977
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0118 0.0151
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0118 0.0077
Brugia malayi Calcitonin receptor-like protein seb-1 0.0104 0.0931 0.1201
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.0826 0.2033
Entamoeba histolytica tubulin gamma chain 0.0077 0.067 0.459
Echinococcus multilocularis tubulin alpha 0.0077 0.067 0.0859
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0021 0.0119 0.0081
Toxoplasma gondii beta-1 tubulin, putative 0.0077 0.067 0.2226
Schistosoma mansoni amine oxidase 0.0021 0.0119 0.0246
Brugia malayi Telomerase reverse transcriptase 0.0745 0.7244 1
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0241 0.0539
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0036 0.0263 0.0337
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0801 0.7797 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0143 0.1321 0.3321
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0143 0.1321 0.5276
Plasmodium vivax tubulin epsilon chain, putative 0.0077 0.067 0.2226
Plasmodium vivax tubulin beta chain, putative 0.0077 0.067 0.2226
Echinococcus multilocularis 0.0021 0.0119 0.0153
Loa Loa (eye worm) hypothetical protein 0.0019 0.0098 0.0338
Echinococcus granulosus alpha tubulin 0.0143 0.1321 0.3321
Plasmodium vivax tubulin alpha chain, putative 0.0143 0.1321 0.4758
Schistosoma mansoni hypothetical protein 0.0033 0.0234 0.0538
Echinococcus multilocularis Tubulin beta 2C chain 0.0077 0.067 0.0859
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0252 0.2397 0.8252
Loa Loa (eye worm) tubulin beta chain 0.0033 0.0241 0.0829
Loa Loa (eye worm) tubulin alpha 2 0.011 0.0991 0.3413
Brugia malayi SWIRM domain containing protein 0.0021 0.0119 0.0068
Plasmodium falciparum telomerase reverse transcriptase 0.028 0.2667 1
Echinococcus multilocularis beta tubulin 0.0077 0.067 0.0859
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0093 0.0826 0.2842
Echinococcus granulosus transient receptor potential ion channel A 0.0093 0.0824 0.2072
Schistosoma mansoni tubulin subunit alpha 0.0143 0.1321 0.3284
Echinococcus multilocularis tubulin subunit TubB 0.0143 0.1321 0.1694
Trichomonas vaginalis tubulin beta chain, putative 0.0143 0.1321 0.5276
Echinococcus multilocularis tubulin alpha 3 chain 0.0143 0.1321 0.1694
Echinococcus granulosus tubulin subunit TubB 0.0143 0.1321 0.3321
Plasmodium vivax tubulin gamma chain, putative 0.0077 0.067 0.2226
Schistosoma mansoni transient receptor potential channel 0.0063 0.0536 0.13
Trichomonas vaginalis tubulin beta chain, putative 0.0143 0.1321 0.5276
Echinococcus multilocularis Tubulin beta 2C chain 0.0077 0.067 0.0859
Echinococcus multilocularis Tubulin alpha 1 chain 0.0143 0.1321 0.1694
Brugia malayi Tubulin alpha-2 chain 0.0143 0.1321 0.1743
Trichomonas vaginalis tubulin, putative 0.0077 0.067 0.2422
Schistosoma mansoni jumonji/arid domain-containing protein 0.0073 0.0627 0.1532
Trichomonas vaginalis tubulin epsilon chain, putative 0.0143 0.1321 0.5276
Brugia malayi Tubulin alpha-2 chain 0.0143 0.1321 0.1743
Brugia malayi Cell division protein ftsZ 0.0033 0.0241 0.0238
Trypanosoma brucei epsilon tubulin 0.0077 0.067 0.2226
Echinococcus granulosus tubulin alpha 1C chain 0.0143 0.1321 0.3321
Onchocerca volvulus 0.0029 0.0197 0.0079
Trichomonas vaginalis glucosylceramidase, putative 0.0174 0.163 0.6635
Echinococcus multilocularis tubulin subunit beta 0.0077 0.067 0.0859
Trypanosoma cruzi tubulin delta chain 0.0033 0.0241 0.0556
Echinococcus granulosus short transient receptor potential channel 6 0.0063 0.0536 0.1348
Leishmania major beta tubulin 0.0077 0.067 0.2226
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0192 0.0246
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.0611 0.0784
Leishmania major gamma-tubulin 0.0077 0.067 0.2226
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0192 0.0365
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0021 0.0119 0.0081
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0021 0.0119 0.0081
Brugia malayi Transient-receptor-potential like protein 0.0036 0.0263 0.0269
Loa Loa (eye worm) hypothetical protein 0.011 0.0991 0.3413
Trypanosoma brucei alpha tubulin 0.0143 0.1321 0.4758
Leishmania major beta tubulin 0.0077 0.067 0.2226
Plasmodium vivax tubulin alpha chain, putative 0.0143 0.1321 0.4758
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0192 0.0365
Trypanosoma cruzi epsilon tubulin, putative 0.0077 0.067 0.2226
Leishmania major alpha tubulin 0.0143 0.1321 0.4758
Echinococcus granulosus jumonji domain containing 1A 0.0019 0.0098 0.0247
Leishmania major alpha tubulin 0.0143 0.1321 0.4758
Echinococcus granulosus Tubulin alpha 1 chain 0.0143 0.1321 0.3321
Plasmodium vivax telomerase reverse transcriptase, putative 0.028 0.2667 1
Onchocerca volvulus Glucosylceramidase homolog 0.0166 0.1542 0.1441
Toxoplasma gondii alpha-tubulin I, putative 0.0143 0.1321 0.4758
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.011 0.0991 0.3832
Loa Loa (eye worm) hypothetical protein 0.0099 0.0892 0.3069
Trichomonas vaginalis tubulin, putative 0.0044 0.0341 0.0977
Trichomonas vaginalis tubulin gamma chain, putative 0.0077 0.067 0.2422
Leishmania major UDP-galactopyranose mutase 0.0021 0.0119 0.0081
Trypanosoma brucei beta tubulin 0.0077 0.067 0.2226
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0157 0.0228
Trichomonas vaginalis tubulin beta chain, putative 0.0143 0.1321 0.5276
Loa Loa (eye worm) tubulin alpha-2 chain 0.0143 0.1321 0.4546
Echinococcus multilocularis beta tubulin 0.0077 0.067 0.0859
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.0611 0.1537
Echinococcus multilocularis protoporphyrinogen oxidase 0.0021 0.0119 0.0153
Schistosoma mansoni jumonji domain containing protein 0.0071 0.0611 0.1491
Leishmania major beta tubulin 0.0077 0.067 0.2226
Leishmania major beta tubulin 0.0077 0.067 0.2226
Loa Loa (eye worm) BEN-1 protein 0.0077 0.067 0.2306
Trichomonas vaginalis tubulin epsilon chain, putative 0.0077 0.067 0.2422
Trichomonas vaginalis tubulin epsilon chain, putative 0.0033 0.0241 0.0539
Leishmania major alpha tubulin 0.0143 0.1321 0.4758
Echinococcus granulosus importin subunit beta 1 0.0028 0.0192 0.0483
Schistosoma mansoni tubulin subunit delta 0.0033 0.0241 0.0554
Echinococcus multilocularis tubulin delta chain 0.0033 0.0241 0.0309
Trichomonas vaginalis tubulin alpha chain, putative 0.0044 0.0341 0.0977
Echinococcus granulosus beta tubulin 0.0077 0.067 0.1685
Schistosoma mansoni hypothetical protein 0.0304 0.2905 0.729
Echinococcus multilocularis transient receptor potential gamma protein 0.0096 0.0856 0.1097
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0118 0.0077
Echinococcus multilocularis tubulin alpha chain 0.0143 0.1321 0.1694
Trypanosoma cruzi zeta tubulin, putative 0.0033 0.0241 0.0556
Brugia malayi hypothetical protein 0.0025 0.0157 0.0121
Echinococcus granulosus tubulin epsilon chain 0.0077 0.067 0.1685
Giardia lamblia Beta tubulin 0.0077 0.067 0.2165
Plasmodium falciparum tubulin epsilon chain, putative 0.0077 0.067 0.2226
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0033 0.0241 0.0556
Entamoeba histolytica tubulin family protein 0.0077 0.067 0.459
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0299 0.2855 1
Leishmania major beta tubulin 0.0077 0.067 0.2226
Leishmania major beta tubulin 0.0077 0.067 0.2226
Schistosoma mansoni tubulin subunit alpha 0.0143 0.1321 0.3284
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0033 0.0241 0.0556
Trichomonas vaginalis glucosylceramidase, putative 0.0252 0.2397 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0093 0.0826 0.1053
Schistosoma mansoni tubulin subunit beta 0.0077 0.067 0.1639
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0139 0.0092
Echinococcus granulosus Tubulin alpha 1 chain 0.0143 0.1321 0.3321
Leishmania major alpha tubulin 0.0143 0.1321 0.4758
Trypanosoma cruzi tubulin delta chain 0.0033 0.0241 0.0556
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0241 0.0539
Leishmania major beta tubulin 0.0077 0.067 0.2226
Echinococcus granulosus snurportin 1 0.0304 0.2905 0.7305
Echinococcus granulosus tubulin alpha 0.0077 0.067 0.1685
Leishmania major beta tubulin 0.0077 0.067 0.2226
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.0826 0.2033
Echinococcus granulosus peroxisome assembly protein 26 0.0143 0.1321 0.3321
Loa Loa (eye worm) tubulin alpha-3 chain 0.0099 0.0892 0.3069
Giardia lamblia Delta tubulin 0.0033 0.0241 0.0482
Echinococcus multilocularis tubulin alpha 3 chain 0.0143 0.1321 0.1694
Schistosoma mansoni phosphatidylserine receptor 0.0019 0.0098 0.0194
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0234 0.0589
Leishmania major beta tubulin 0.0077 0.067 0.2226
Loa Loa (eye worm) hypothetical protein 0.0021 0.0119 0.0409
Echinococcus multilocularis transient receptor potential ion channel A 0.0093 0.0824 0.1057
Trichomonas vaginalis glucosylceramidase, putative 0.0174 0.163 0.6635
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0021 0.0119 0.0153
Leishmania major alpha tubulin 0.0143 0.1321 0.4758
Giardia lamblia Alpha-tubulin 0.0143 0.1321 0.4717
Loa Loa (eye worm) hypothetical protein 0.0019 0.0098 0.0338
Schistosoma mansoni hypothetical protein 0.0033 0.0234 0.0538
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0098 0.0338
Echinococcus multilocularis snurportin 1 0.0304 0.2905 0.3726
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0192 0.0365
Trichomonas vaginalis tubulin alpha chain, putative 0.0044 0.0341 0.0977
Mycobacterium leprae cell division protein FtsZ 0.0033 0.0241 1
Schistosoma mansoni alpha tubulin 0.0143 0.1321 0.3284
Leishmania major beta tubulin 0.0077 0.067 0.2226
Giardia lamblia Gamma tubulin 0.0077 0.067 0.2165
Loa Loa (eye worm) hypothetical protein 0.0021 0.0119 0.0409
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.028 0.2667 1
Leishmania major beta tubulin 0.0077 0.067 0.2226
Trypanosoma brucei tubulin delta chain 0.0033 0.0241 0.0556
Echinococcus granulosus tubulin alpha chain 0.0143 0.1321 0.3321
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0157 0.0228
Trypanosoma brucei epsilon tubulin 0.0077 0.067 0.2226
Trypanosoma cruzi beta tubulin, putative 0.0077 0.067 0.2226
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.0826 0.2076
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0139 0.0092
Trypanosoma brucei beta tubulin 0.0077 0.067 0.2226
Trichomonas vaginalis tubulin beta chain, putative 0.0143 0.1321 0.5276
Brugia malayi beta-tubulin, identical 0.0077 0.067 0.0836
Trichomonas vaginalis tubulin beta chain, putative 0.0143 0.1321 0.5276
Echinococcus granulosus tubulin alpha chain 0.0143 0.1321 0.3321
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0021 0.0114 0.0288
Brugia malayi Tubulin gamma chain 0.0077 0.067 0.0836
Leishmania major zeta tubulin, putative 0.0033 0.0241 0.0556
Loa Loa (eye worm) tubulin beta-1 chain 0.0077 0.067 0.2306
Plasmodium vivax delta tubulin, putative 0.0033 0.0241 0.0556
Entamoeba histolytica hypothetical protein 0.0023 0.0139 0.0175
Echinococcus multilocularis tubulin alpha chain 0.0143 0.1321 0.1694
Entamoeba histolytica tubulin alpha-1 chain 0.0143 0.1321 1
Trypanosoma cruzi epsilon tubulin, putative 0.0077 0.067 0.2226
Leishmania major beta tubulin 0.0077 0.067 0.2226
Brugia malayi jmjC domain containing protein 0.0019 0.0098 0.0039
Trichomonas vaginalis tubulin epsilon chain, putative 0.0143 0.1321 0.5276
Schistosoma mansoni tubulin subunit beta 0.0077 0.067 0.1639
Echinococcus granulosus TRP transient receptor potential channel 0.0036 0.0263 0.0661
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0157 0.0228
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0099 0.0892 0.3394
Toxoplasma gondii histone lysine methyltransferase SET1 0.0055 0.0452 0.1379
Loa Loa (eye worm) tubulin alpha chain 0.0143 0.1321 0.4546
Schistosoma mansoni ran 0.0021 0.0118 0.0244
Echinococcus granulosus lysine specific demethylase 5A 0.0073 0.0627 0.1578
Echinococcus granulosus tubulin alpha 3 chain 0.0143 0.1321 0.3321
Loa Loa (eye worm) beta-tubulin 0.0077 0.067 0.2306
Trichomonas vaginalis tubulin alpha chain, putative 0.0044 0.0341 0.0977
Trichomonas vaginalis glucosylceramidase, putative 0.0252 0.2397 1
Giardia lamblia Alpha-tubulin 0.0143 0.1321 0.4717
Leishmania major beta tubulin 0.0077 0.067 0.2226
Leishmania major alpha tubulin 0.0143 0.1321 0.4758
Leishmania major telomerase reverse transcriptase, putative 0.028 0.2667 1
Echinococcus granulosus Tubulin beta 2C chain 0.0077 0.067 0.1685
Chlamydia trachomatis protoporphyrinogen oxidase 0.0021 0.0119 0.5
Echinococcus multilocularis short transient receptor potential channel 6 0.0063 0.0536 0.0687
Schistosoma mansoni phd/f-box containing protein 0.0019 0.0098 0.0194
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0304 0.2905 1
Onchocerca volvulus 0.0044 0.0341 0.0224
Trichomonas vaginalis glucosylceramidase, putative 0.0166 0.1542 0.625
Trichomonas vaginalis glucosylceramidase, putative 0.0166 0.1542 0.625
Echinococcus multilocularis hypothetical protein 0.0143 0.1321 0.1694
Schistosoma mansoni tubulin subunit beta 0.0077 0.067 0.1639
Echinococcus granulosus beta tubulin 0.0077 0.067 0.1685
Plasmodium falciparum tubulin gamma chain 0.0077 0.067 0.2226
Echinococcus granulosus tubulin alpha 3 chain 0.0143 0.1321 0.3321
Trypanosoma brucei alpha tubulin 0.0143 0.1321 0.4758
Echinococcus granulosus GPCR family 2 0.0033 0.0234 0.0589
Loa Loa (eye worm) hypothetical protein 0.0071 0.0609 0.2096
Trichomonas vaginalis tubulin beta chain, putative 0.0143 0.1321 0.5276
Schistosoma mansoni jumonji domain containing protein 0.0019 0.0098 0.0194
Entamoeba histolytica tubulin alpha chain, putative 0.0143 0.1321 1
Toxoplasma gondii beta tubulin 0.0077 0.067 0.2226
Echinococcus granulosus tubulin beta 1 chain 0.0077 0.067 0.1685
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0044 0.0341 0.0977
Loa Loa (eye worm) alpha-tubulin 0.0143 0.1321 0.4546
Leishmania major beta tubulin 0.0077 0.067 0.2226
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0023 0.0136 0.0148
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0104 0.0931 0.1201
Schistosoma mansoni alpha tubulin 0.0143 0.1321 0.3284
Toxoplasma gondii RNA-directed DNA polymerase 0.028 0.2667 1
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0077 0.067 0.0859

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 15.84893192 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 25.11886432 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) 0.2079 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) 4.4668 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens 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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