TDR Targets

Basic information

Technical information

TDR Targets ID: 328034
Name: N-[2-[4-(1H-imidazol-2-yl)phenyl]ethyl]-2-[(2 R)-1-naphthalen-2-ylsulfonyl-3-oxo-2,4-dihydr oquinoxalin-2-yl]acetamide
MW: 565.642 | Formula: C31H27N5O4S
H donors: 3 H acceptors: 5 LogP: 3.9 Rotable bonds: 9
Rule of 5 violations (Lipinski): 2
SMILES: O=C(C[C@@H]1C(=O)Nc2c(N1S(=O)(=O)c1ccc3c(c1)cccc3)cccc2)NCCc1ccc(cc1)c1[nH]ccn1
InChi: 1S/C31H27N5O4S/c37-29(32-16-15-21-9-11-23(12-10-21)30-33-17-18-34-30)20-28-31(38)35-26-7-3-4-8-27(26)36(28)41(39,40)25-14-13-22-5-1-2-6-24(22)19-25/h1-14,17-19,28H,15-16,20H2,(H,32,37)(H,33,34)(H,35,38)/t28-/m1/s1
InChiKey: YLOXEJODUVEQAF-MUUNZHRXSA-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

N-[2-[4-(1H-imidazol-2-yl)phenyl]ethyl]-2-[(2R)-1-(2-naphthylsulfonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
N-[2-[4-(1H-imidazol-2-yl)phenyl]ethyl]-2-[(2R)-1-(2-naphthalenylsulfonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
N-[2-[4-(1H-imidazol-2-yl)phenyl]ethyl]-2-[(2R)-1-naphthalen-2-ylsulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]ethanamide
N-[2-[4-(1H-imidazol-2-yl)phenyl]ethyl]-2-[(2R)-3-keto-1-(2-naphthylsulfonyl)-2,4-dihydroquinoxalin-2-yl]acetamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	bradykinin receptor B2	Starlite/ChEMBL	References
Homo sapiens	bradykinin receptor B1	Starlite/ChEMBL	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
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	bradykinin receptor B2	391 aa	354 aa	19.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	tubulin alpha chain	0.0239	0.4488	0.4481
Echinococcus granulosus	tubulin alpha chain	0.0239	0.4488	0.4481
Schistosoma mansoni	tubulin subunit beta	0.0104	0.1873	0.1863
Mycobacterium ulcerans	phosphopantetheinyl transferase, PptII	0.0025	0.0346	0.0579
Entamoeba histolytica	tubulin alpha chain, putative	0.0239	0.4488	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.0135	0.2481	0.5529
Brugia malayi	alpha-tubulin	0.0239	0.4488	1
Trypanosoma cruzi	alpha tubulin, putative	0.0239	0.4488	1
Leishmania major	alpha tubulin	0.0239	0.4488	1
Leishmania major	alpha tubulin	0.0239	0.4488	1
Entamoeba histolytica	tubulin alpha-1 chain	0.0239	0.4488	1
Leishmania major	alpha tubulin	0.0239	0.4488	1
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0088	0.1561	0.155
Brugia malayi	Tubulin alpha-2 chain	0.0239	0.4488	1
Trypanosoma cruzi	epsilon tubulin, putative	0.0239	0.4488	1
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.007	0.1221	0.1209
Brugia malayi	Tubulin alpha chain	0.0104	0.1873	0.4113
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.007	0.1221	0.2644
Leishmania major	beta tubulin	0.0239	0.4488	1
Plasmodium falciparum	tubulin epsilon chain, putative	0.0239	0.4488	1
Trypanosoma cruzi	tubulin delta chain	0.0104	0.1873	0.3826
Toxoplasma gondii	beta-tubulin, putative	0.0239	0.4488	1
Leishmania major	gamma-tubulin	0.0239	0.4488	1
Trichomonas vaginalis	conserved hypothetical protein	0.0104	0.1873	0.4174
Echinococcus multilocularis	Tubulin beta 2C chain	0.0239	0.4488	0.4481
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0525	1	1
Echinococcus multilocularis	peroxisome assembly protein 26	0.0239	0.4488	0.4481
Schistosoma mansoni	lipoxygenase	0.0525	1	1
Echinococcus granulosus	transcription factor Dp 1	0.0041	0.065	0.0638
Echinococcus granulosus	Tubulin beta 2C chain	0.0239	0.4488	0.4481
Echinococcus granulosus	tubulin alpha	0.0239	0.4488	0.4481
Echinococcus granulosus	tubulin beta 1 chain	0.0239	0.4488	0.4481
Trypanosoma brucei	beta tubulin	0.0239	0.4488	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0239	0.4488	0.4481
Echinococcus granulosus	L aminoadipate semialdehyde	0.0088	0.1572	0.1561
Trichomonas vaginalis	tubulin, putative	0.0135	0.2481	0.5529
Schistosoma mansoni	tubulin subunit epsilon	0.0239	0.4488	0.4481
Loa Loa (eye worm)	tubulin beta chain	0.0239	0.4488	1
Schistosoma mansoni	tubulin subunit delta	0.0104	0.1873	0.1863
Trypanosoma brucei	epsilon tubulin	0.0239	0.4488	1
Brugia malayi	beta-tubulin, identical	0.0239	0.4488	1
Brugia malayi	Tubulin alpha-2 chain	0.0239	0.4488	1
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.007	0.1221	0.2286
Schistosoma mansoni	tubulin subunit alpha	0.0104	0.1873	0.1863
Plasmodium vivax	delta tubulin, putative	0.0104	0.1873	0.3826
Echinococcus granulosus	lipoxygenase domain containing protein	0.0088	0.1561	0.155
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0239	0.4488	1
Plasmodium falciparum	tubulin beta chain	0.0239	0.4488	1
Plasmodium vivax	tubulin alpha chain, putative	0.0239	0.4488	1
Brugia malayi	Tubulin beta chain	0.0135	0.2481	0.5482
Echinococcus multilocularis	hypothetical protein	0.0239	0.4488	0.4481
Schistosoma mansoni	rab6-interacting	0.0088	0.1561	0.155
Trichomonas vaginalis	tubulin gamma chain, putative	0.0239	0.4488	1
Echinococcus multilocularis	tubulin alpha chain	0.0239	0.4488	0.4481
Echinococcus multilocularis	beta tubulin	0.0239	0.4488	0.4481
Schistosoma mansoni	tubulin subunit beta	0.0239	0.4488	0.4481
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0239	0.4488	1
Schistosoma mansoni	alpha tubulin	0.0239	0.4488	0.4481
Echinococcus granulosus	lipoxygenase domain containing protein	0.0088	0.1561	0.155
Schistosoma mansoni	tubulin subunit beta	0.0239	0.4488	0.4481
Leishmania major	beta tubulin	0.0239	0.4488	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.0239	0.4488	0.4481
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0135	0.2481	0.5529
Loa Loa (eye worm)	beta-tubulin	0.0239	0.4488	1
Echinococcus granulosus	RUN	0.0088	0.1561	0.155
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0104	0.1873	0.4174
Entamoeba histolytica	tubulin family protein	0.0239	0.4488	1
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0239	0.4488	1
Toxoplasma gondii	4'-phosphopantetheinyl transferase domain-containing protein	0.0025	0.0346	0.0222
Schistosoma mansoni	loxhd1	0.0088	0.1561	0.155
Brugia malayi	CXXC zinc finger family protein	0.0031	0.0456	0.0921
Trypanosoma brucei	tubulin delta chain	0.0104	0.1873	0.3826
Echinococcus multilocularis	Tubulin beta 2C chain	0.0239	0.4488	0.4481
Trichomonas vaginalis	tubulin, putative	0.0239	0.4488	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.0104	0.1873	0.4174
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0239	0.4488	0.4481
Trypanosoma cruzi	zeta tubulin, putative	0.0104	0.1873	0.3826
Echinococcus multilocularis	transcription factor Dp 1	0.0041	0.065	0.0638
Trypanosoma cruzi	epsilon tubulin, putative	0.0239	0.4488	1
Brugia malayi	tubulin alpha chain - mouse	0.0239	0.4488	1
Echinococcus multilocularis	tubulin delta chain	0.0104	0.1873	0.1863
Leishmania major	beta tubulin	0.0239	0.4488	1
Entamoeba histolytica	tubulin gamma chain	0.0239	0.4488	1
Mycobacterium leprae	cell division protein FtsZ	0.0104	0.1873	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.0239	0.4488	1
Echinococcus granulosus	alpha tubulin	0.0239	0.4488	0.4481
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0058	0.0983	0.1724
Schistosoma mansoni	lipoxygenase	0.0367	0.6951	0.6947
Echinococcus multilocularis	Tubulin beta 2C chain	0.0239	0.4488	0.4481
Trichomonas vaginalis	tubulin gamma chain, putative	0.0239	0.4488	1
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0049	0.0036
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0088	0.1561	0.155
Giardia lamblia	Delta tubulin	0.0104	0.1873	0.3826
Trypanosoma cruzi	beta tubulin, putative	0.0239	0.4488	1
Leishmania major	phosphopantetheinyl transferase-like protein	0.0025	0.0346	0.0222
Echinococcus multilocularis	tubulin alpha chain	0.0239	0.4488	0.4481
Echinococcus granulosus	Tubulin beta 2C chain	0.0239	0.4488	0.4481
Loa Loa (eye worm)	tubulin alpha 2	0.0135	0.2481	0.548
Trypanosoma brucei	zeta tubulin	0.0104	0.1873	0.3826
Trypanosoma brucei	alpha tubulin	0.0239	0.4488	1
Echinococcus multilocularis	tubulin alpha 1C chain	0.0239	0.4488	0.4481
Leishmania major	delta tubulin, putative	0.0104	0.1873	0.3826
Echinococcus multilocularis	tubulin epsilon chain	0.0239	0.4488	0.4481
Plasmodium falciparum	alpha tubulin 2	0.0239	0.4488	1
Echinococcus granulosus	tubulin alpha 3 chain	0.0239	0.4488	0.4481
Toxoplasma gondii	4'-phosphopantetheinyl transferase superfamily protein	0.0025	0.0346	0.0222
Echinococcus granulosus	peroxisome assembly protein 26	0.0239	0.4488	0.4481
Trypanosoma brucei	beta tubulin	0.0239	0.4488	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0239	0.4488	1
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.007	0.1221	0.1209
Leishmania major	beta tubulin	0.0239	0.4488	1
Mycobacterium tuberculosis	holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie	0.0025	0.0346	0.0579
Echinococcus granulosus	tubulin beta 4A class IVa	0.0239	0.4488	0.4481
Trichomonas vaginalis	conserved hypothetical protein	0.0104	0.1873	0.4174
Plasmodium falciparum	alpha tubulin 1	0.0239	0.4488	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.0239	0.4488	0.4481
Plasmodium falciparum	tubulin delta chain, putative	0.0104	0.1873	0.3826
Trypanosoma brucei	alpha tubulin	0.0239	0.4488	1
Leishmania major	beta tubulin	0.0239	0.4488	1
Wolbachia endosymbiont of Brugia malayi	cell division protein FtsZ	0.0104	0.1873	1
Brugia malayi	Tubulin beta chain	0.0104	0.1873	0.4113
Loa Loa (eye worm)	tubulin gamma chain	0.0239	0.4488	1
Echinococcus granulosus	cpg binding protein	0.0032	0.0489	0.0477
Treponema pallidum	cell division protein FtsZ	0.0104	0.1873	1
Trypanosoma cruzi	tubulin gamma chain	0.0239	0.4488	1
Echinococcus multilocularis	tubulin alpha 3 chain	0.0239	0.4488	0.4481
Giardia lamblia	Alpha-tubulin	0.0239	0.4488	1
Echinococcus granulosus	beta tubulin	0.0239	0.4488	0.4481
Brugia malayi	Tubulin alpha chain	0.0239	0.4488	1
Leishmania major	beta tubulin	0.0239	0.4488	1
Echinococcus granulosus	tubulin gamma 1 chain	0.0239	0.4488	0.4481
Plasmodium vivax	tubulin epsilon chain, putative	0.0239	0.4488	1
Trichomonas vaginalis	tubulin, putative	0.0104	0.1873	0.4174
Schistosoma mansoni	alpha tubulin	0.0239	0.4488	0.4481
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.007	0.1221	0.2286
Schistosoma mansoni	tubulin subunit alpha	0.0239	0.4488	0.4481
Echinococcus granulosus	tubulin alpha chain	0.0239	0.4488	0.4481
Loa Loa (eye worm)	doublecortin family protein	0.0088	0.1561	0.3405
Echinococcus multilocularis	Tubulin beta 2C chain	0.0239	0.4488	0.4481
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0104	0.1873	0.4174
Schistosoma mansoni	alpha tubulin	0.0239	0.4488	0.4481
Schistosoma mansoni	tubulin subunit beta	0.0239	0.4488	0.4481
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0239	0.4488	1
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0088	0.1572	0.3435
Echinococcus granulosus	tubulin alpha chain	0.0239	0.4488	0.4481
Trypanosoma brucei	alpha tubulin, putative	0.0135	0.2481	0.5263
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0239	0.4488	1
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0239	0.4488	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0065	0.1116	0.1105
Leishmania major	beta tubulin	0.0239	0.4488	1
Echinococcus multilocularis	RUN	0.0088	0.1561	0.155
Echinococcus granulosus	beta tubulin	0.0239	0.4488	0.4481
Leishmania major	beta tubulin	0.0239	0.4488	1
Echinococcus multilocularis	tubulin beta 1 chain	0.0239	0.4488	0.4481
Trypanosoma brucei	beta tubulin	0.0239	0.4488	1
Trichomonas vaginalis	tubulin beta-1 chain, putative	0.0104	0.1873	0.4174
Trypanosoma cruzi	zeta tubulin, putative	0.0104	0.1873	0.3826
Echinococcus multilocularis	tubulin subunit TubB	0.0239	0.4488	0.4481
Loa Loa (eye worm)	tubulin beta chain	0.0104	0.1873	0.411
Leishmania major	beta tubulin	0.0239	0.4488	1
Loa Loa (eye worm)	hypothetical protein	0.0239	0.4488	1
Schistosoma mansoni	cpg binding protein	0.0031	0.0456	0.0443
Giardia lamblia	Epsilon tubulin	0.0104	0.1873	0.3826
Loa Loa (eye worm)	tubulin alpha chain	0.0239	0.4488	1
Trypanosoma brucei	beta tubulin	0.0239	0.4488	1
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.007	0.1221	0.2286
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0104	0.1873	0.3826
Echinococcus multilocularis	tubulin subunit beta	0.0239	0.4488	0.4481
Schistosoma mansoni	cpg binding protein	0.0032	0.0489	0.0477
Plasmodium vivax	tubulin beta chain, putative	0.0239	0.4488	1
Echinococcus multilocularis	Polycystic kidney disease protein	0.0088	0.1561	0.155
Echinococcus granulosus	tubulin alpha 1C chain	0.0239	0.4488	0.4481
Leishmania major	beta tubulin	0.0239	0.4488	1
Loa Loa (eye worm)	BEN-1 protein	0.0239	0.4488	1
Echinococcus granulosus	tubulin alpha chain	0.0239	0.4488	0.4481
Trichomonas vaginalis	tubulin beta chain, putative	0.0239	0.4488	1
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0239	0.4488	0.4481
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0104	0.1873	0.3826
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.007	0.1221	0.2286
Loa Loa (eye worm)	tubulin beta-4 chain	0.0239	0.4488	1
Schistosoma mansoni	cpg binding protein	0.0032	0.0489	0.0477
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0239	0.4488	0.4481
Plasmodium falciparum	LCCL domain-containing protein	0.0088	0.1561	0.3089
Leishmania major	beta tubulin	0.0239	0.4488	1
Plasmodium vivax	tubulin alpha chain, putative	0.0239	0.4488	1
Echinococcus granulosus	Polycystic kidney disease protein	0.0088	0.1561	0.155
Schistosoma mansoni	tubulin subunit beta	0.0239	0.4488	0.4481
Trypanosoma brucei	hypothetical protein, conserved	0.0025	0.0346	0.0222
Leishmania major	beta tubulin	0.0239	0.4488	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0239	0.4488	1
Schistosoma mansoni	polycystin 1-related	0.0088	0.1561	0.155
Trypanosoma brucei	epsilon tubulin	0.0239	0.4488	1
Leishmania major	beta tubulin	0.0239	0.4488	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.0239	0.4488	1
Toxoplasma gondii	beta tubulin	0.0239	0.4488	1
Echinococcus multilocularis	tubulin alpha chain	0.0239	0.4488	0.4481
Leishmania major	alpha tubulin	0.0239	0.4488	1
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.002	0.0252	0.024
Trypanosoma brucei	tubulin gamma chain	0.0239	0.4488	1
Trichomonas vaginalis	ap endonuclease, putative	0.002	0.0252	0.0562
Schistosoma mansoni	hypothetical protein	0.0434	0.8258	0.8256
Leishmania major	beta tubulin	0.0239	0.4488	1
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0088	0.1572	0.1561
Schistosoma mansoni	ap endonuclease	0.002	0.0252	0.024
Echinococcus granulosus	dnaJ subfamily B	0.0434	0.8258	0.8256
Schistosoma mansoni	tubulin subunit gamma	0.0239	0.4488	0.4481
Schistosoma mansoni	tubulin subunit alpha	0.0239	0.4488	0.4481
Trichomonas vaginalis	tubulin beta chain, putative	0.0239	0.4488	1
Plasmodium vivax	multidomain scavenger receptor, putative	0.0088	0.1561	0.3089
Giardia lamblia	Beta tubulin	0.0239	0.4488	1
Plasmodium falciparum	holo-[acyl-carrier-protein] synthase, putative	0.0025	0.0346	0.0222
Trypanosoma brucei	epsilon tubulin	0.0239	0.4488	1
Loa Loa (eye worm)	alpha-tubulin	0.0239	0.4488	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0239	0.4488	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0239	0.4488	1
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.002	0.0252	0.0459
Echinococcus granulosus	tubulin alpha 1C chain	0.0239	0.4488	0.4481
Leishmania major	beta tubulin	0.0239	0.4488	1
Brugia malayi	Cell division protein ftsZ	0.0104	0.1873	0.4113
Trypanosoma brucei	zeta tubulin, putative	0.0104	0.1873	0.3826
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.007	0.1221	0.1209
Leishmania major	alpha tubulin	0.0239	0.4488	1
Leishmania major	alpha tubulin	0.0239	0.4488	1
Giardia lamblia	Gamma tubulin	0.0239	0.4488	1
Onchocerca volvulus		0.0135	0.2481	1
Echinococcus multilocularis	beta tubulin	0.0239	0.4488	0.4481
Brugia malayi	Doublecortin family protein	0.0088	0.1561	0.3409
Entamoeba histolytica	tubulin family protein	0.0239	0.4488	1
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0239	0.4488	0.4481
Schistosoma mansoni	tubulin subunit alpha	0.0239	0.4488	0.4481
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0031	0.0456	0.0917
Mycobacterium ulcerans	cell division protein FtsZ	0.0104	0.1873	1
Echinococcus granulosus	tubulin subunit beta	0.0239	0.4488	0.4481
Loa Loa (eye worm)	tubulin alpha-3 chain	0.0104	0.1873	0.411
Trichomonas vaginalis	tubulin gamma chain, putative	0.0239	0.4488	1
Schistosoma mansoni	ap endonuclease	0.002	0.0252	0.024
Toxoplasma gondii	alpha tubulin TUBA1	0.0239	0.4488	1
Echinococcus granulosus	tubulin alpha chain	0.0239	0.4488	0.4481
Echinococcus granulosus	tubulin alpha 3 chain	0.0239	0.4488	0.4481
Loa Loa (eye worm)	hypothetical protein	0.0088	0.1561	0.3405
Leishmania major	alpha tubulin	0.0239	0.4488	1
Plasmodium vivax	tubulin gamma chain, putative	0.0239	0.4488	1
Leishmania major	alpha tubulin	0.0239	0.4488	1
Loa Loa (eye worm)	hypothetical protein	0.0135	0.2481	0.548
Leishmania major	beta tubulin	0.0239	0.4488	1
Toxoplasma gondii	alpha-tubulin I, putative	0.0239	0.4488	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0239	0.4488	1
Treponema pallidum	4'-phosphopantetheinyl transferase	0.0025	0.0346	0.0579
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.0135	0.2481	0.548
Wolbachia endosymbiont of Brugia malayi	4'-phosphopantetheinyl transferase	0.0025	0.0346	0.0579
Giardia lamblia	Alpha-tubulin	0.0239	0.4488	1
Brugia malayi	Tubulin beta-1 chain	0.0239	0.4488	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.0239	0.4488	0.4481
Echinococcus granulosus	tubulin delta chain	0.0104	0.1873	0.1863
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.007	0.1221	0.264
Trypanosoma cruzi	tubulin delta chain	0.0104	0.1873	0.3826
Trichomonas vaginalis	tubulin beta chain, putative	0.0135	0.2481	0.5529
Onchocerca volvulus		0.0088	0.1561	0.5454
Brugia malayi	hypothetical protein	0.0088	0.1561	0.3409
Entamoeba histolytica	hypothetical protein	0.0025	0.0346	0.0222
Trichomonas vaginalis	tubulin alpha chain, putative	0.0135	0.2481	0.5529
Onchocerca volvulus		0.0088	0.1572	0.5512
Loa Loa (eye worm)	alpha-tubulin	0.0239	0.4488	1
Echinococcus multilocularis	tubulin alpha 1C chain	0.0239	0.4488	0.4481
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0135	0.2481	0.5529
Chlamydia trachomatis	holo [acyl-carrier protein] synthase	0.0025	0.0346	0.5
Loa Loa (eye worm)	tubulin beta-1 chain	0.0239	0.4488	1
Schistosoma mansoni	tubulin subunit beta	0.0239	0.4488	0.4481
Toxoplasma gondii	beta-1 tubulin, putative	0.0239	0.4488	1
Loa Loa (eye worm)	hypothetical protein	0.0088	0.1572	0.3432
Schistosoma mansoni	rab6-interacting	0.0088	0.1561	0.155
Echinococcus granulosus	tubulin subunit TubB	0.0239	0.4488	0.4481
Plasmodium vivax	holo-[acyl-carrier-protein] synthase, putative	0.0025	0.0346	0.0222
Echinococcus multilocularis	cpg binding protein	0.0032	0.0489	0.0477
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0088	0.1572	0.1561
Trichomonas vaginalis	tubulin alpha chain, putative	0.0135	0.2481	0.5529
Echinococcus multilocularis	dnaJ subfamily B	0.0434	0.8258	0.8256
Leishmania major	alpha tubulin	0.0239	0.4488	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0239	0.4488	1
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.002	0.0252	0.024
Onchocerca volvulus		0.0088	0.1561	0.5454
Echinococcus granulosus	Tubulin beta 2C chain	0.0239	0.4488	0.4481
Brugia malayi	tubulin alpha-2 chain	0.0239	0.4488	1
Leishmania major	beta tubulin	0.0239	0.4488	1
Echinococcus multilocularis	tubulin gamma 1 chain	0.0239	0.4488	0.4481
Echinococcus multilocularis	tubulin alpha 3 chain	0.0239	0.4488	0.4481
Loa Loa (eye worm)	tubulin alpha 2	0.0135	0.2481	0.548
Echinococcus multilocularis	tubulin alpha chain	0.0239	0.4488	0.4481
Echinococcus granulosus	Tubulin beta 2C chain	0.0239	0.4488	0.4481
Leishmania major	zeta tubulin, putative	0.0104	0.1873	0.3826
Giardia lamblia	Beta tubulin	0.0239	0.4488	1
Trypanosoma brucei	beta tubulin	0.0239	0.4488	1
Schistosoma mansoni	hypothetical protein	0.0088	0.1561	0.155
Schistosoma mansoni	tubulin subunit beta	0.0239	0.4488	0.4481
Loa Loa (eye worm)	BEN-1 protein	0.0239	0.4488	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0239	0.4488	0.4481
Giardia lamblia	Beta tubulin	0.0239	0.4488	1
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0049	0.0036
Mycobacterium ulcerans	4'-phosphopantetheinyl transferase	0.0025	0.0346	0.0579
Leishmania major	alpha tubulin	0.0239	0.4488	1
Loa Loa (eye worm)	hypothetical protein	0.0088	0.1561	0.3405
Mycobacterium tuberculosis	Cell division protein FtsZ	0.0104	0.1873	1
Plasmodium falciparum	tubulin gamma chain	0.0239	0.4488	1
Brugia malayi	exodeoxyribonuclease III family protein	0.002	0.0252	0.0464
Leishmania major	epsilon tubulin, putative	0.0239	0.4488	1
Echinococcus granulosus	tubulin epsilon chain	0.0239	0.4488	0.4481
Echinococcus multilocularis	tubulin alpha	0.0239	0.4488	0.4481
Loa Loa (eye worm)	tubulin beta-2A chain	0.0239	0.4488	1
Brugia malayi	Tubulin gamma chain	0.0239	0.4488	1
Loa Loa (eye worm)	hypothetical protein	0.0104	0.1873	0.411
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.007	0.1221	0.2286
Leishmania major	alpha tubulin	0.0239	0.4488	1
Leishmania major	beta tubulin	0.0239	0.4488	1
Trichomonas vaginalis	ap endonuclease, putative	0.002	0.0252	0.0562
Leishmania major	alpha tubulin	0.0239	0.4488	1
Loa Loa (eye worm)	tubulin alpha chain	0.0239	0.4488	1
Trypanosoma brucei	alpha tubulin	0.0239	0.4488	1
Trypanosoma brucei	alpha tubulin	0.0239	0.4488	1
Trichomonas vaginalis	tubulin, putative	0.0135	0.2481	0.5529
Brugia malayi	hypothetical protein	0.0088	0.1561	0.3409

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 0.07 nM	Binding affinity to human Bradykinin receptor B1 over-expressed in transgenic rats was determined by ex vivo receptor occupancy assay	ChEMBL.	15546726
Ki (binding)	= 0.07 nM	Binding affinity to human Bradykinin receptor B1 over-expressed in transgenic rats was determined by ex vivo receptor occupancy assay	ChEMBL.	15546726
Ki (binding)	> 10000 nM	Binding affinity to human Bradykinin receptor B2 over-expressed in transgenic rats was determined by ex vivo receptor occupancy assay	ChEMBL.	15546726
Ki (binding)	> 10000 nM	Binding affinity to human Bradykinin receptor B2 over-expressed in transgenic rats was determined by ex vivo receptor occupancy assay	ChEMBL.	15546726
logP (ADMET)	= 3.32	Partition coefficient (logP)	ChEMBL.	15546726
Protein binding (binding)	= 98.5	Binding affinity to human plasma protein	ChEMBL.	15546726

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.

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: CHEMBL185811
PubChem: 11180561

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 328034