TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 476.654 | Formula: C29H40N4O2
H donors: 2 H acceptors: 3 LogP: 4.26 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: [C-]#[N+][C@@]12CCC(=C)[C@@H]3[C@@H]2[C@H](CC[C@@H]1C)[C@H](C[C@H]3CC(NC(=O)CNC(=O)c1ccncc1)(C)C)C
InChi: 1S/C29H40N4O2/c1-18-9-12-29(30-6)20(3)7-8-23-19(2)15-22(25(18)26(23)29)16-28(4,5)33-24(34)17-32-27(35)21-10-13-31-14-11-21/h10-11,13-14,19-20,22-23,25-26H,1,7-9,12,15-17H2,2-5H3,(H,32,35)(H,33,34)/t19-,20-,22-,23+,25-,26-,29-/m0/s1
InChiKey: VJEPROMHGDLYJG-HLBASKQBSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0169427	0.0365273	0.0433786
Loa Loa (eye worm)	hypothetical protein	0.0169427	0.0365273	0.0433786
Echinococcus granulosus	tubulin alpha 1C chain	0.0447793	0.315326	0.374471
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0485609	0.353201	0.41945
Leishmania major	alpha tubulin	0.0447793	0.315326	0.520762
Onchocerca volvulus	Putative nachr subunit	0.0169427	0.0365273	0.0365273
Brugia malayi	alpha-tubulin	0.0447793	0.315326	0.526578
Loa Loa (eye worm)	tubulin alpha chain	0.0447793	0.315326	0.374471
Trypanosoma brucei	C-8 sterol isomerase, putative	0.0730848	0.59882	1
Brugia malayi	Tubulin beta-1 chain	0.0601565	0.469337	0.783769
Trypanosoma brucei	beta tubulin	0.0322928	0.190267	0.309356
Leishmania major	beta tubulin	0.0601565	0.469337	0.781112
Brugia malayi	Tubulin alpha-2 chain	0.0447793	0.315326	0.526578
Trichomonas vaginalis	tubulin alpha chain, putative	0.0182717	0.0498381	0.0921313
Echinococcus granulosus	tubulin beta 1 chain	0.0601565	0.469337	0.557369
Schistosoma mansoni	tubulin subunit alpha	0.0447793	0.315326	0.374471
Echinococcus multilocularis	tubulin gamma 1 chain	0.0322928	0.190267	0.225955
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0601565	0.469337	0.557369
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0447793	0.315326	0.666693
Trichomonas vaginalis	tubulin gamma chain, putative	0.0322928	0.190267	0.396045
Leishmania major	beta tubulin	0.0601565	0.469337	0.781112
Trichomonas vaginalis	tubulin alpha chain, putative	0.0182717	0.0498381	0.0921313
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0973708	0.842058	1
Loa Loa (eye worm)	hypothetical protein	0.0169427	0.0365273	0.0433786
Leishmania major	gamma-tubulin	0.0322928	0.190267	0.309356
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0169427	0.0365273	0.0433786
Plasmodium vivax	tryptophan-rich antigen (Pv-fam-a)	0.0655046	0.5229	1
Leishmania major	alpha tubulin	0.0447793	0.315326	0.520762
Brugia malayi	Tubulin alpha chain	0.0447793	0.315326	0.526578
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0169427	0.0365273	0.0433786
Schistosoma mansoni	tubulin subunit alpha	0.0447793	0.315326	0.374471
Trichomonas vaginalis	tubulin gamma chain, putative	0.0322928	0.190267	0.396045
Echinococcus multilocularis	serotonin receptor	0.0973708	0.842058	1
Plasmodium falciparum	alpha tubulin 2	0.0447793	0.315326	0.666693
Plasmodium vivax	tubulin alpha chain, putative	0.0447793	0.315326	0.597438
Mycobacterium tuberculosis	Cell division protein FtsZ	0.0140212	0.00726703	0.5
Trypanosoma cruzi	alpha tubulin, putative	0.0447793	0.315326	0.520762
Schistosoma mansoni	alpha tubulin	0.0447793	0.315326	0.374471
Leishmania major	beta tubulin	0.0601565	0.469337	0.781112
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0485609	0.353201	0.41945
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0169427	0.0365273	0.0433786
Treponema pallidum	cell division protein FtsZ	0.0140212	0.00726703	0.5
Trypanosoma cruzi	beta tubulin, putative	0.0601565	0.469337	0.781112
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0169427	0.0365273	0.0609987
Leishmania major	alpha tubulin	0.0447793	0.315326	0.520762
Trichomonas vaginalis	tubulin, putative	0.0182717	0.0498381	0.0921313
Trypanosoma brucei	alpha tubulin	0.0447793	0.315326	0.520762
Schistosoma mansoni	tubulin subunit beta	0.0601565	0.469337	0.557369
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0601565	0.469337	1
Echinococcus multilocularis	hypothetical protein	0.0447793	0.315326	0.374471
Plasmodium falciparum	alpha tubulin 1	0.0447793	0.315326	0.666693
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0169427	0.0365273	0.0433786
Schistosoma mansoni	tubulin subunit beta	0.0601565	0.469337	0.557369
Leishmania major	beta tubulin	0.0601565	0.469337	0.781112
Trichomonas vaginalis	tubulin, putative	0.0601565	0.469337	1
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0169427	0.0365273	0.0433786
Leishmania major	beta tubulin	0.0601565	0.469337	0.781112
Echinococcus multilocularis	tubulin alpha chain	0.0447793	0.315326	0.374471
Schistosoma mansoni	nAChR subunit	0.0169427	0.0365273	0.0433786
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0169427	0.0365273	0.0433786
Echinococcus granulosus	alpha tubulin	0.0447793	0.315326	0.374471
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0169427	0.0365273	0.0433786
Leishmania major	alpha tubulin	0.0447793	0.315326	0.520762
Trypanosoma brucei	beta tubulin	0.0601565	0.469337	0.781112
Loa Loa (eye worm)	tubulin beta-2A chain	0.0601565	0.469337	0.557369
Schistosoma mansoni	nAChR subunit	0.0169427	0.0365273	0.0433786
Echinococcus multilocularis	tubulin alpha 1C chain	0.0447793	0.315326	0.374471
Schistosoma mansoni	tubulin subunit beta	0.0601565	0.469337	0.557369
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0169427	0.0365273	0.0609987
Plasmodium vivax	tubulin gamma chain, putative	0.0322928	0.190267	0.354904
Loa Loa (eye worm)	hypothetical protein	0.0391304	0.25875	0.307282
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0169427	0.0365273	0.0433786
Trypanosoma brucei	alpha tubulin, putative	0.0182717	0.0498381	0.0719649
Loa Loa (eye worm)	hypothetical protein	0.0169427	0.0365273	0.0433786
Echinococcus multilocularis	tubulin alpha chain	0.0447793	0.315326	0.374471
Toxoplasma gondii	beta-tubulin, putative	0.0601565	0.469337	1
Leishmania major	alpha tubulin	0.0447793	0.315326	0.520762
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0169427	0.0365273	0.0609987
Schistosoma mansoni	nAChR subunit	0.0169427	0.0365273	0.0433786
Trichomonas vaginalis	tubulin beta chain, putative	0.0447793	0.315326	0.666693
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0169427	0.0365273	0.0433786
Echinococcus multilocularis	tubulin alpha chain	0.0447793	0.315326	0.374471
Trichomonas vaginalis	tubulin alpha chain, putative	0.0322928	0.190267	0.396045
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0169427	0.0365273	0.0609987
Echinococcus granulosus	peroxisome assembly protein 26	0.0447793	0.315326	0.374471
Onchocerca volvulus		0.0169427	0.0365273	0.0365273
Brugia malayi	excitatory GABA receptor EXP-1A	0.0169427	0.0365273	0.0609987
Echinococcus granulosus	tubulin subunit beta	0.0601565	0.469337	0.557369
Trypanosoma cruzi	epsilon tubulin, putative	0.0322928	0.190267	0.309356
Onchocerca volvulus		0.113141	1	1
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0169427	0.0365273	0.0609987
Entamoeba histolytica	tubulin alpha chain, putative	0.0447793	0.315326	0.448127
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0169427	0.0365273	0.0433786
Echinococcus multilocularis	tubulin delta chain	0.0140212	0.00726703	0.00863009
Echinococcus granulosus	Tubulin beta 2C chain	0.0601565	0.469337	0.557369
Brugia malayi	Tubulin gamma chain	0.0322928	0.190267	0.317737
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0169427	0.0365273	0.0433786
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0447793	0.315326	0.374471
Schistosoma mansoni	tubulin subunit beta	0.0601565	0.469337	0.557369
Echinococcus granulosus	tubulin alpha chain	0.0447793	0.315326	0.374471
Trypanosoma brucei	alpha tubulin	0.0447793	0.315326	0.520762
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0169427	0.0365273	0.0433786
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.0307581	0.174896	0.207701
Loa Loa (eye worm)	hypothetical protein	0.0169427	0.0365273	0.0433786
Trichomonas vaginalis	tubulin beta chain, putative	0.0447793	0.315326	0.666693
Leishmania major	alpha tubulin	0.0447793	0.315326	0.520762
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0620015	0.487816	0.814628
Loa Loa (eye worm)	hypothetical protein	0.0375282	0.242703	0.288226
Loa Loa (eye worm)	hypothetical protein	0.0169427	0.0365273	0.0433786
Leishmania major	alpha tubulin	0.0447793	0.315326	0.520762
Schistosoma mansoni	nAChR subunit	0.0169427	0.0365273	0.0433786
Loa Loa (eye worm)	hypothetical protein	0.0537564	0.405236	0.481245
Trypanosoma brucei	epsilon tubulin	0.0322928	0.190267	0.309356
Schistosoma mansoni	alpha tubulin	0.0447793	0.315326	0.374471
Loa Loa (eye worm)	hypothetical protein	0.0973708	0.842058	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0601565	0.469337	0.557369
Entamoeba histolytica	tubulin family protein	0.0601565	0.469337	1
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0169427	0.0365273	0.0433786
Echinococcus granulosus	glycine receptor subunit beta	0.0169427	0.0365273	0.0433786
Brugia malayi	tubulin alpha-2 chain	0.0447793	0.315326	0.526578
Loa Loa (eye worm)	hypothetical protein	0.0447793	0.315326	0.374471
Echinococcus multilocularis	Tubulin beta 2C chain	0.0601565	0.469337	0.557369
Echinococcus multilocularis	tubulin alpha	0.0322928	0.190267	0.225955
Brugia malayi	Tubulin alpha chain	0.0140212	0.00726703	0.0121356
Leishmania major	alpha tubulin	0.0447793	0.315326	0.520762
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0169427	0.0365273	0.0609987
Mycobacterium leprae	cell division protein FtsZ	0.0140212	0.00726703	0.5
Leishmania major	beta tubulin	0.0601565	0.469337	0.781112
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.0730848	0.59882	1
Leishmania major	beta tubulin	0.0601565	0.469337	0.781112
Schistosoma mansoni	tubulin subunit epsilon	0.0322928	0.190267	0.225955
Echinococcus granulosus	tubulin epsilon chain	0.0322928	0.190267	0.225955
Trichomonas vaginalis	tubulin alpha chain, putative	0.0601565	0.469337	1
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0169427	0.0365273	0.0433786
Leishmania major	beta tubulin	0.0601565	0.469337	0.781112
Echinococcus granulosus	tubulin alpha chain	0.0447793	0.315326	0.374471
Trypanosoma cruzi	tubulin gamma chain	0.0322928	0.190267	0.309356
Loa Loa (eye worm)	alpha-tubulin	0.0447793	0.315326	0.374471
Echinococcus multilocularis	Tubulin beta 2C chain	0.0601565	0.469337	0.557369
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0169427	0.0365273	0.0609987
Loa Loa (eye worm)	tubulin alpha-3 chain	0.0265076	0.132325	0.157145
Loa Loa (eye worm)	tubulin beta-4 chain	0.0601565	0.469337	0.557369
Echinococcus multilocularis	Tubulin beta 2C chain	0.0601565	0.469337	0.557369
Brugia malayi	Cation transporter family protein	0.0169427	0.0365273	0.0609987
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0169427	0.0365273	0.0609987
Schistosoma mansoni	tubulin subunit beta	0.0601565	0.469337	0.557369
Echinococcus multilocularis	peroxisome assembly protein 26	0.0447793	0.315326	0.374471
Brugia malayi	Tubulin beta chain	0.0140212	0.00726703	0.0121356
Echinococcus multilocularis	glycine receptor subunit beta	0.0169427	0.0365273	0.0433786
Loa Loa (eye worm)	tubulin beta chain	0.0601565	0.469337	0.557369
Echinococcus multilocularis	tubulin subunit beta	0.0601565	0.469337	0.557369
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0169427	0.0365273	0.0433786
Echinococcus granulosus	tubulin alpha 1C chain	0.0447793	0.315326	0.374471
Leishmania major	beta tubulin	0.0601565	0.469337	0.781112
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0169427	0.0365273	0.0609987
Leishmania major	beta tubulin	0.0601565	0.469337	0.781112
Loa Loa (eye worm)	hypothetical protein	0.0169427	0.0365273	0.0433786
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0169427	0.0365273	0.0609987
Echinococcus multilocularis	serotonin receptor	0.0973708	0.842058	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0307581	0.174896	0.36278
Onchocerca volvulus		0.0182717	0.0498381	0.0498381
Toxoplasma gondii	beta tubulin	0.0601565	0.469337	1
Giardia lamblia	Alpha-tubulin	0.0447793	0.315326	0.666693
Echinococcus granulosus	glycine receptor subunit beta	0.0169427	0.0365273	0.0433786
Loa Loa (eye worm)	tubulin beta-1 chain	0.0601565	0.469337	0.557369
Echinococcus multilocularis	glycine receptor subunit beta	0.0169427	0.0365273	0.0433786
Leishmania major	alpha tubulin	0.0447793	0.315326	0.520762
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0169427	0.0365273	0.0433786
Trypanosoma brucei	epsilon tubulin	0.0322928	0.190267	0.309356
Trichomonas vaginalis	tubulin beta chain, putative	0.0447793	0.315326	0.666693
Leishmania major	beta tubulin	0.0601565	0.469337	0.781112
Wolbachia endosymbiont of Brugia malayi	cell division protein FtsZ	0.0140212	0.00726703	0.5
Echinococcus multilocularis	tubulin alpha 1C chain	0.0447793	0.315326	0.374471
Leishmania major	beta tubulin	0.0601565	0.469337	0.781112
Loa Loa (eye worm)	tubulin alpha chain	0.0447793	0.315326	0.374471
Brugia malayi	tubulin alpha chain - mouse	0.0447793	0.315326	0.526578
Echinococcus granulosus	tubulin alpha chain	0.0447793	0.315326	0.374471
Trichomonas vaginalis	tubulin beta chain, putative	0.0601565	0.469337	1
Brugia malayi	Cell division protein ftsZ	0.0140212	0.00726703	0.0121356
Brugia malayi	Cation transporter family protein	0.0169427	0.0365273	0.0609987
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0169427	0.0365273	0.0433786
Plasmodium vivax	tubulin alpha chain, putative	0.0447793	0.315326	0.597438
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0169427	0.0365273	0.0609987
Echinococcus multilocularis	nAChR subunit	0.0169427	0.0365273	0.0433786
Leishmania major	alpha tubulin	0.0447793	0.315326	0.520762
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0169427	0.0365273	0.0609987
Plasmodium vivax	tubulin beta chain, putative	0.0601565	0.469337	0.89612
Trypanosoma brucei	epsilon tubulin	0.0322928	0.190267	0.309356
Echinococcus multilocularis	tubulin epsilon chain	0.0322928	0.190267	0.225955
Mycobacterium ulcerans	cell division protein FtsZ	0.0140212	0.00726703	0.5
Loa Loa (eye worm)	hypothetical protein	0.0169427	0.0365273	0.0433786
Echinococcus granulosus	Tubulin alpha 1 chain	0.0447793	0.315326	0.374471
Echinococcus granulosus	beta tubulin	0.0601565	0.469337	0.557369
Loa Loa (eye worm)	tubulin gamma chain	0.0322928	0.190267	0.225955
Echinococcus granulosus	Tubulin beta 2C chain	0.0601565	0.469337	0.557369
Loa Loa (eye worm)	tubulin alpha 2	0.0307581	0.174896	0.207701
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0169427	0.0365273	0.0609987
Leishmania major	beta tubulin	0.0601565	0.469337	0.781112
Loa Loa (eye worm)	hypothetical protein	0.0169427	0.0365273	0.0433786
Trypanosoma brucei	alpha tubulin	0.0447793	0.315326	0.520762
Toxoplasma gondii	alpha-tubulin I, putative	0.0447793	0.315326	0.666693
Schistosoma mansoni	nAChR subunit	0.0169427	0.0365273	0.0433786
Loa Loa (eye worm)	hypothetical protein	0.0620015	0.487816	0.579314
Schistosoma mansoni	nAChR subunit	0.0169427	0.0365273	0.0433786
Loa Loa (eye worm)	beta-tubulin	0.0601565	0.469337	0.557369
Trypanosoma brucei	beta tubulin	0.0601565	0.469337	0.781112
Onchocerca volvulus		0.0169427	0.0365273	0.0365273
Loa Loa (eye worm)	LGC-31 protein	0.0169427	0.0365273	0.0433786
Leishmania major	alpha tubulin	0.0447793	0.315326	0.520762
Entamoeba histolytica	tubulin family protein	0.0601565	0.469337	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.0447793	0.315326	0.374471
Loa Loa (eye worm)	hypothetical protein	0.0265076	0.132325	0.157145
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0169427	0.0365273	0.0609987
Plasmodium falciparum	tubulin epsilon chain, putative	0.0322928	0.190267	0.396045
Plasmodium falciparum	tubulin gamma chain	0.0322928	0.190267	0.396045
Loa Loa (eye worm)	hypothetical protein	0.0730848	0.59882	0.711139
Schistosoma mansoni	tubulin subunit alpha	0.0447793	0.315326	0.374471
Loa Loa (eye worm)	BEN-1 protein	0.0601565	0.469337	0.557369
Loa Loa (eye worm)	hypothetical protein	0.0973708	0.842058	1
Echinococcus granulosus	tubulin beta 4A class IVa	0.0601565	0.469337	0.557369
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0447793	0.315326	0.374471
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0447793	0.315326	0.374471
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0169427	0.0365273	0.0609987
Giardia lamblia	Beta tubulin	0.0601565	0.469337	1
Loa Loa (eye worm)	alpha-tubulin	0.0447793	0.315326	0.374471
Echinococcus granulosus	tubulin alpha chain	0.0447793	0.315326	0.374471
Plasmodium vivax	tubulin epsilon chain, putative	0.0322928	0.190267	0.354904
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0169427	0.0365273	0.0433786
Loa Loa (eye worm)	hypothetical protein	0.0169427	0.0365273	0.0433786
Trichomonas vaginalis	tubulin gamma chain, putative	0.0601565	0.469337	1
Echinococcus granulosus	tubulin alpha	0.0322928	0.190267	0.225955
Onchocerca volvulus		0.0169427	0.0365273	0.0365273
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0447793	0.315326	0.374471
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0447793	0.315326	0.666693
Echinococcus granulosus	nAChR subunit	0.0169427	0.0365273	0.0433786
Onchocerca volvulus		0.0169427	0.0365273	0.0365273
Echinococcus granulosus	tubulin alpha 3 chain	0.0447793	0.315326	0.374471
Plasmodium falciparum	tubulin beta chain	0.0601565	0.469337	1
Trypanosoma brucei	beta tubulin	0.0601565	0.469337	0.781112
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0169427	0.0365273	0.0433786
Loa Loa (eye worm)	tubulin beta chain	0.0140212	0.00726703	0.00863009
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0169427	0.0365273	0.0433786
Echinococcus granulosus	tubulin alpha chain	0.0447793	0.315326	0.374471
Schistosoma mansoni	tubulin subunit beta	0.0140212	0.00726703	0.00863009
Echinococcus multilocularis	tubulin subunit TubB	0.0447793	0.315326	0.374471
Loa Loa (eye worm)	hypothetical protein	0.0169427	0.0365273	0.0433786
Echinococcus multilocularis	beta tubulin	0.0601565	0.469337	0.557369
Toxoplasma gondii	beta-1 tubulin, putative	0.0601565	0.469337	1
Onchocerca volvulus		0.0169427	0.0365273	0.0365273
Loa Loa (eye worm)	hypothetical protein	0.0169427	0.0365273	0.0433786
Echinococcus multilocularis	tubulin alpha chain	0.0447793	0.315326	0.374471
Echinococcus granulosus	Tubulin beta 2C chain	0.0601565	0.469337	0.557369
Brugia malayi	Dopamine receptor protein 1	0.0391304	0.25875	0.432099
Schistosoma mansoni	alpha tubulin	0.0447793	0.315326	0.374471
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0169427	0.0365273	0.0433786
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0182717	0.0498381	0.0921313
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0169427	0.0365273	0.0433786
Loa Loa (eye worm)	hypothetical protein	0.0169427	0.0365273	0.0433786
Schistosoma mansoni	tubulin subunit gamma	0.0322928	0.190267	0.225955
Trichomonas vaginalis	tubulin beta chain, putative	0.0447793	0.315326	0.666693
Echinococcus granulosus	tubulin gamma 1 chain	0.0322928	0.190267	0.225955
Echinococcus multilocularis	tubulin beta 1 chain	0.0601565	0.469337	0.557369
Echinococcus multilocularis	Tubulin beta 2C chain	0.0601565	0.469337	0.557369
Leishmania major	beta tubulin	0.0601565	0.469337	0.781112
Loa Loa (eye worm)	hypothetical protein	0.0169427	0.0365273	0.0433786
Echinococcus granulosus	beta tubulin	0.0601565	0.469337	0.557369
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0169427	0.0365273	0.0433786
Leishmania major	epsilon tubulin, putative	0.0322928	0.190267	0.309356
Brugia malayi	beta-tubulin, identical	0.0601565	0.469337	0.783769
Echinococcus granulosus	biogenic amine 5HT receptor	0.0973708	0.842058	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.0182717	0.0498381	0.0921313
Giardia lamblia	Beta tubulin	0.0601565	0.469337	1
Trypanosoma brucei	alpha tubulin	0.0447793	0.315326	0.520762
Trypanosoma cruzi	epsilon tubulin, putative	0.0322928	0.190267	0.309356
Brugia malayi	ERG2 and Sigma1 receptor like protein	0.0730848	0.59882	1
Leishmania major	alpha tubulin	0.0447793	0.315326	0.520762
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0169427	0.0365273	0.0433786
Echinococcus multilocularis	tubulin alpha 3 chain	0.0447793	0.315326	0.374471
Echinococcus granulosus	Tubulin beta 2C chain	0.0601565	0.469337	0.557369
Loa Loa (eye worm)	hypothetical protein	0.0169427	0.0365273	0.0433786
Loa Loa (eye worm)	ACC-1 protein	0.0169427	0.0365273	0.0433786
Echinococcus granulosus	tubulin delta chain	0.0140212	0.00726703	0.00863009
Trypanosoma brucei	beta tubulin	0.0601565	0.469337	0.781112
Schistosoma mansoni	tubulin subunit beta	0.0601565	0.469337	0.557369
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0601565	0.469337	1
Onchocerca volvulus		0.0169427	0.0365273	0.0365273
Loa Loa (eye worm)	hypothetical protein	0.0169427	0.0365273	0.0433786
Loa Loa (eye worm)	tubulin alpha 2	0.0307581	0.174896	0.207701
Trichomonas vaginalis	tubulin beta chain, putative	0.0182717	0.0498381	0.0921313
Schistosoma mansoni	tubulin subunit alpha	0.0140212	0.00726703	0.00863009
Brugia malayi	Tubulin alpha-2 chain	0.0447793	0.315326	0.526578
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0169427	0.0365273	0.0433786
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0169427	0.0365273	0.0433786
Loa Loa (eye worm)	ACC-1 protein	0.0169427	0.0365273	0.0433786
Giardia lamblia	Gamma tubulin	0.0322928	0.190267	0.396045
Schistosoma mansoni	tubulin subunit delta	0.0140212	0.00726703	0.00863009
Echinococcus granulosus	Tubulin alpha 1 chain	0.0447793	0.315326	0.374471
Echinococcus granulosus	tubulin subunit TubB	0.0447793	0.315326	0.374471
Loa Loa (eye worm)	hypothetical protein	0.0736835	0.604816	0.71826
Echinococcus granulosus	biogenic amine 5HT receptor	0.0485609	0.353201	0.41945
Loa Loa (eye worm)	hypothetical protein	0.0169427	0.0365273	0.0433786
Trypanosoma brucei	tubulin gamma chain	0.0322928	0.190267	0.309356
Trichomonas vaginalis	tubulin beta chain, putative	0.0447793	0.315326	0.666693
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0169427	0.0365273	0.0433786
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0322928	0.190267	0.396045
Loa Loa (eye worm)	hypothetical protein	0.0169427	0.0365273	0.0433786
Trichomonas vaginalis	tubulin, putative	0.0182717	0.0498381	0.0921313
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0169427	0.0365273	0.0433786
Echinococcus multilocularis	beta tubulin	0.0601565	0.469337	0.557369
Brugia malayi	Tubulin beta chain	0.0182717	0.0498381	0.0832272
Leishmania major	beta tubulin	0.0601565	0.469337	0.781112
Leishmania major	beta tubulin	0.0601565	0.469337	0.781112
Echinococcus granulosus	tubulin alpha 3 chain	0.0447793	0.315326	0.374471
Echinococcus multilocularis	Tubulin beta 2C chain	0.0601565	0.469337	0.557369
Leishmania major	C-8 sterol isomerase-like protein	0.0730848	0.59882	1
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0169427	0.0365273	0.0433786
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0169427	0.0365273	0.0433786
Leishmania major	beta tubulin	0.0601565	0.469337	0.781112
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0169427	0.0365273	0.0433786
Echinococcus multilocularis	tubulin alpha chain	0.0447793	0.315326	0.374471
Toxoplasma gondii	alpha tubulin TUBA1	0.0447793	0.315326	0.666693
Giardia lamblia	Beta tubulin	0.0601565	0.469337	1
Loa Loa (eye worm)	BEN-1 protein	0.0601565	0.469337	0.557369
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0265076	0.132325	0.270648
Giardia lamblia	Alpha-tubulin	0.0447793	0.315326	0.666693
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0169427	0.0365273	0.0433786
Trichomonas vaginalis	tubulin beta chain, putative	0.0447793	0.315326	0.666693
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0447793	0.315326	0.666693
Loa Loa (eye worm)	hypothetical protein	0.0307581	0.174896	0.207701
Echinococcus multilocularis	tubulin alpha 3 chain	0.0447793	0.315326	0.374471
Leishmania major	beta tubulin	0.0601565	0.469337	0.781112
Schistosoma mansoni	nAChR subunit	0.0169427	0.0365273	0.0433786
Brugia malayi	Cation transporter family protein	0.0169427	0.0365273	0.0609987
Entamoeba histolytica	tubulin alpha-1 chain	0.0447793	0.315326	0.448127

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 6.3 nM	Antiplasmodial activity against chloroquine-susceptible Plasmodium falciparum 3D7 infected in human O+ erythrocytes after 72 hrs by SYBR Green based parasite proliferation assay	ChEMBL.	26421992
MIC (functional)	= 101.8 ug ml-1	Antimycobacterial activity against Mycobacterium tuberculosis H37Rv ATCC 27294 by microplate alamar blue assay	ChEMBL.	26421992

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum		26421992

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

ChEMBL: CHEMBL3632754

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1943852