TDR Targets

Basic information

Technical information

TDR Targets ID: 433979
Name: 6-methoxy-N-[1-[[(2R)-1-[[1-(oxan-4-ylmethyl) piperidin-4-yl]methylamino]-1-oxo-3-phenylpro pan-2-yl]carbamoyl]cyclopentyl]-1-benzothioph ene-2-carboxamide
MW: 660.866 | Formula: C37H48N4O5S
H donors: 3 H acceptors: 3 LogP: 5.64 Rotable bonds: 15
Rule of 5 violations (Lipinski): 2
SMILES: COc1ccc2c(c1)sc(c2)C(=O)NC1(CCCC1)C(=O)N[C@@H](C(=O)NCC1CCN(CC1)CC1CCOCC1)Cc1ccccc1
InChi: 1S/C37H48N4O5S/c1-45-30-10-9-29-22-33(47-32(29)23-30)35(43)40-37(15-5-6-16-37)36(44)39-31(21-26-7-3-2-4-8-26)34(42)38-24-27-11-17-41(18-12-27)25-28-13-19-46-20-14-28/h2-4,7-10,22-23,27-28,31H,5-6,11-21,24-25H2,1H3,(H,38,42)(H,39,44)(H,40,43)/t31-/m1/s1
InChiKey: VSZDNTDZDVKZQL-WJOKGBTCSA-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-[1-[[(1R)-1-benzyl-2-oxo-2-[[1-(tetrahydropyran-4-ylmethyl)-4-piperidyl]methylamino]ethyl]carbamoyl]cyclopentyl]-6-methoxy-benzothiophene-2-carboxamide
N-[1-[[[(1R)-1-benzyl-2-oxo-2-[[1-(4-tetrahydropyranylmethyl)-4-piperidinyl]methylamino]ethyl]amino]-oxomethyl]cyclopentyl]-6-methoxy-2-benzothiophenecarboxamide
6-methoxy-N-[1-[[(2R)-1-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenyl-propan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide
N-[1-[[(1R)-1-benzyl-2-keto-2-[[1-(tetrahydropyran-4-ylmethyl)-4-piperidyl]methylamino]ethyl]carbamoyl]cyclopentyl]-6-methoxy-benzothiophene-2-carboxamide
6-methoxy-N-[1-[[(1R)-2-oxo-1-(phenylmethyl)-2-[[1-(tetrahydropyran-4-ylmethyl)-4-piperidyl]methylamino]ethyl]carbamoyl]cyclopentyl]benzothiophene-2-carboxamide
6-methoxy-N-[1-[oxo-[[(1R)-2-oxo-1-(phenylmethyl)-2-[[1-(4-tetrahydropyranylmethyl)-4-piperidinyl]methylamino]ethyl]amino]methyl]cyclopentyl]-2-benzothiophenecarboxamide
N-[1-[[(1R)-1-(benzyl)-2-keto-2-[[1-(tetrahydropyran-4-ylmethyl)-4-piperidyl]methylamino]ethyl]carbamoyl]cyclopentyl]-6-methoxy-benzothiophene-2-carboxamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	tachykinin receptor 2	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

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	tubulin subunit alpha	0.0011	0.0017	0.1147
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0046	0.0151	0.222
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0013	0.0024	0.1605
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0013	0.0024	0.0356
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0046	0.0151	0.917
Leishmania major	beta tubulin	0.0029	0.0085	0.4589
Schistosoma mansoni	tubulin subunit alpha	0.0011	0.0017	0.1147
Schistosoma mansoni	tubulin subunit beta	0.0029	0.0085	0.5625
Echinococcus multilocularis	peroxisome assembly protein 26	0.0011	0.0017	0.0255
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0013	0.0024	0.1605
Trypanosoma brucei	epsilon tubulin	0.0011	0.0017	0.1051
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0029	0.0085	0.1249
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.005	0.0164	1
Loa Loa (eye worm)	BEN-1 protein	0.0029	0.0085	0.1149
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0013	0.0024	0.2853
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0011	0.0017	0.0143
Plasmodium vivax	tubulin beta chain, putative	0.0029	0.0085	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.005	0.0164	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.005	0.0164	1
Schistosoma mansoni	tubulin subunit beta	0.0029	0.0085	0.5625
Schistosoma mansoni	alpha tubulin	0.0011	0.0017	0.1147
Trichomonas vaginalis	tubulin beta chain, putative	0.0011	0.0017	0.1147
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0013	0.0024	0.1605
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0013	0.0024	0.1605
Schistosoma mansoni	hypothetical protein	0.0038	0.0118	0.7829
Echinococcus multilocularis	cysteine protease	0.0013	0.0024	0.0356
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0013	0.0024	0.1605
Onchocerca volvulus		0.0013	0.0024	0.1495
Trypanosoma cruzi	cysteine peptidase, putative	0.005	0.0164	1
Echinococcus multilocularis	tubulin beta 1 chain	0.0029	0.0085	0.1249
Schistosoma mansoni	alpha tubulin	0.0011	0.0017	0.1147
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0024	0.0246
Brugia malayi	tubulin alpha chain - mouse	0.0011	0.0017	0.0255
Giardia lamblia	Beta tubulin	0.0029	0.0085	0.5059
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0013	0.0024	0.1605
Toxoplasma gondii	cathepsin CPL	0.0013	0.0024	0.0518
Echinococcus multilocularis	Tubulin beta 2C chain	0.0029	0.0085	0.1249
Entamoeba histolytica	cysteine proteinase, putative	0.0013	0.0024	0.2853
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0013	0.0024	0.1605
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0013	0.0024	0.1605
Echinococcus granulosus	Tubulin beta 2C chain	0.0029	0.0085	0.1249
Trypanosoma cruzi	alpha tubulin, putative	0.0011	0.0017	0.1051
Leishmania major	cathepsin L-like protease	0.0013	0.0024	0.047
Trichomonas vaginalis	tubulin beta chain, putative	0.0011	0.0017	0.1147
Echinococcus multilocularis	tubulin alpha chain	0.0011	0.0017	0.0255
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0046	0.0151	0.917
Trichomonas vaginalis	tubulin, putative	0.0029	0.0085	0.5625
Echinococcus granulosus	tubulin epsilon chain	0.0011	0.0017	0.0255
Echinococcus granulosus	tubulin subunit TubB	0.0011	0.0017	0.0255
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0013	0.0024	0.0246
Trypanosoma brucei	protein kinase, putative	0.0046	0.0151	0.917
Plasmodium falciparum	tubulin gamma chain	0.0011	0.0017	0.2038
Onchocerca volvulus	Cathepsin F homolog	0.0013	0.0024	0.1495
Leishmania major	beta tubulin	0.0029	0.0085	0.4589
Loa Loa (eye worm)	tubulin beta-2A chain	0.0029	0.0085	0.1149
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0013	0.0024	0.1605
Echinococcus granulosus	Tubulin beta 2C chain	0.0029	0.0085	0.1249
Schistosoma mansoni	serine/threonine protein kinase	0.0046	0.0151	1
Brugia malayi	Tubulin gamma chain	0.0011	0.0017	0.0255
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0029	0.0085	0.5625
Loa Loa (eye worm)	BEN-1 protein	0.0029	0.0085	0.1149
Echinococcus granulosus	Tubulin alpha 1 chain	0.0011	0.0017	0.0255
Brugia malayi	cathepsin L-like precursor	0.0009	0.0008	0.0113
Giardia lamblia	Beta tubulin	0.0029	0.0085	0.5059
Loa Loa (eye worm)	alpha-tubulin	0.0011	0.0017	0.0143
Loa Loa (eye worm)	hypothetical protein	0.0185	0.0679	1
Echinococcus multilocularis	tubulin alpha chain	0.0011	0.0017	0.0255
Onchocerca volvulus		0.0038	0.0118	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0011	0.0017	0.1147
Echinococcus granulosus	mitogen activated protein kinase 3	0.0046	0.0151	0.222
Leishmania major	beta tubulin	0.0029	0.0085	0.4589
Trypanosoma cruzi	epsilon tubulin, putative	0.0011	0.0017	0.1051
Schistosoma mansoni	tubulin subunit gamma	0.0011	0.0017	0.1147
Echinococcus multilocularis	beta tubulin	0.0029	0.0085	0.1249
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0017	0.0143
Echinococcus multilocularis	tubulin alpha 3 chain	0.0011	0.0017	0.0255
Trypanosoma brucei	beta tubulin	0.0029	0.0085	0.5158
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0046	0.0151	0.9072
Leishmania major	beta tubulin	0.0029	0.0085	0.4589
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0046	0.0148	0.8997
Leishmania major	beta tubulin	0.0029	0.0085	0.4589
Brugia malayi	hypothetical protein	0.0028	0.0082	0.12
Echinococcus granulosus	tubulin gamma 1 chain	0.0011	0.0017	0.0255
Trichomonas vaginalis	CMGC family protein kinase	0.0046	0.0151	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0029	0.0085	0.1249
Schistosoma mansoni	tubulin subunit epsilon	0.0011	0.0017	0.1147
Echinococcus granulosus	Tubulin beta 2C chain	0.0029	0.0085	0.1249
Echinococcus multilocularis	Tubulin beta 2C chain	0.0029	0.0085	0.1249
Trypanosoma cruzi	tubulin gamma chain	0.0011	0.0017	0.1051
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0028	0.0082	0.12
Brugia malayi	Cathepsin L-like precursor	0.0013	0.0024	0.0356
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0013	0.0024	0.1605
Echinococcus granulosus	cathepsin l1	0.0013	0.0024	0.0356
Trichomonas vaginalis	tubulin beta chain, putative	0.0011	0.0017	0.1147
Brugia malayi	Cathepsin L-like precursor	0.0013	0.0024	0.0356
Brugia malayi	hypothetical protein	0.0185	0.0679	1
Entamoeba histolytica	hypothetical protein	0.0028	0.0082	0.9611
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0013	0.0024	0.1605
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0013	0.0024	0.1605
Leishmania major	cathepsin L-like protease	0.0013	0.0024	0.047
Echinococcus granulosus	tubulin beta 1 chain	0.0029	0.0085	0.1249
Trichomonas vaginalis	tubulin gamma chain, putative	0.0029	0.0085	0.5625
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.005	0.0164	1
Trichomonas vaginalis	CMGC family protein kinase	0.0046	0.0151	1
Plasmodium vivax	vivapain-2	0.0013	0.0024	0.2853
Echinococcus multilocularis	tubulin subunit beta	0.0029	0.0085	0.1249
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0013	0.0024	0.1605
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0011	0.0017	0.0255
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.005	0.0164	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0013	0.0024	0.1605
Schistosoma mansoni	cathepsin F (C01 family)	0.0013	0.0024	0.1605
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0038	0.0118	0.1738
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0013	0.0024	0.0356
Leishmania major	cathepsin L-like protease	0.0013	0.0024	0.047
Trypanosoma brucei	epsilon tubulin	0.0011	0.0017	0.1051
Loa Loa (eye worm)	beta-tubulin	0.0029	0.0085	0.1149
Echinococcus granulosus	survival motor neuron protein 1	0.0185	0.0679	1
Echinococcus granulosus	cathepsin l1	0.0009	0.0008	0.0113
Brugia malayi	Cathepsin L-like precursor	0.0013	0.0024	0.0356
Leishmania major	cathepsin L-like protease	0.005	0.0164	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0011	0.0017	0.1147
Trichomonas vaginalis	tubulin alpha chain, putative	0.0029	0.0085	0.5625
Leishmania major	beta tubulin	0.0029	0.0085	0.4589
Trichomonas vaginalis	tubulin beta chain, putative	0.0029	0.0085	0.5625
Brugia malayi	tubulin alpha-2 chain	0.0011	0.0017	0.0255
Entamoeba histolytica	cysteine protease, putative	0.0013	0.0024	0.2853
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0013	0.0024	0.1605
Onchocerca volvulus		0.0013	0.0024	0.1495
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.005	0.0164	1
Trypanosoma cruzi	epsilon tubulin, putative	0.0011	0.0017	0.1051
Schistosoma mansoni	hypothetical protein	0.0028	0.0082	0.5407
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0046	0.0151	0.917
Leishmania major	beta tubulin	0.0029	0.0085	0.4589
Leishmania major	beta tubulin	0.0029	0.0085	0.4589
Trichomonas vaginalis	tubulin alpha chain, putative	0.0011	0.0017	0.1147
Trypanosoma brucei	alpha tubulin	0.0011	0.0017	0.1051
Trypanosoma brucei	tubulin gamma chain	0.0011	0.0017	0.1051
Schistosoma mansoni	alpha tubulin	0.0011	0.0017	0.1147
Loa Loa (eye worm)	tubulin gamma chain	0.0011	0.0017	0.0143
Trypanosoma cruzi	cysteine peptidase, putative	0.0013	0.0024	0.1472
Trypanosoma brucei	beta tubulin	0.0011	0.0017	0.1051
Entamoeba histolytica	hypothetical protein	0.0028	0.0082	0.9611
Brugia malayi	Cathepsin L-like precursor	0.0013	0.0024	0.0356
Brugia malayi	Tubulin beta-1 chain	0.0029	0.0085	0.1249
Schistosoma mansoni	cathepsin F (C01 family)	0.0009	0.0008	0.0511
Loa Loa (eye worm)	alpha-tubulin	0.0011	0.0017	0.0143
Trypanosoma cruzi	cysteine peptidase, putative	0.005	0.0164	1
Trypanosoma brucei	beta tubulin	0.0029	0.0085	0.5158
Echinococcus granulosus	alpha tubulin	0.0011	0.0017	0.0255
Mycobacterium tuberculosis	3-dehydroquinate dehydratase AroD (AROQ) (3-dehydroquinase) (type II dhqase)	0.2628	1	0.5
Brugia malayi	Papain family cysteine protease containing protein	0.0013	0.0024	0.0356
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0011	0.0017	0.0255
Echinococcus granulosus	tubulin alpha 1C chain	0.0011	0.0017	0.0255
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0046	0.0151	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0013	0.0024	0.2853
Plasmodium vivax	vivapain-2	0.0013	0.0024	0.2853
Plasmodium vivax	tubulin alpha chain, putative	0.0011	0.0017	0.2038
Echinococcus multilocularis	tubulin alpha 3 chain	0.0011	0.0017	0.0255
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0009	0.0008	0.0511
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0013	0.0024	0.1605
Giardia lamblia	Kinase, CMGC MAPK	0.0046	0.0151	1
Plasmodium falciparum	tubulin beta chain	0.0029	0.0085	1
Echinococcus granulosus	tubulin alpha chain	0.0011	0.0017	0.0255
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0013	0.0024	0.1605
Echinococcus granulosus	Tubulin alpha 1 chain	0.0011	0.0017	0.0255
Leishmania major	beta tubulin	0.0029	0.0085	0.4589
Loa Loa (eye worm)	tubulin beta-1 chain	0.0029	0.0085	0.1149
Schistosoma mansoni	tubulin subunit beta	0.0029	0.0085	0.5625
Echinococcus granulosus	tubulin alpha	0.0011	0.0017	0.0255
Schistosoma mansoni	transcription factor LCR-F1	0.0028	0.0082	0.5407
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.005	0.0164	1
Echinococcus multilocularis	tubulin gamma 1 chain	0.0011	0.0017	0.0255
Brugia malayi	Cathepsin L-like precursor	0.0009	0.0008	0.0113
Plasmodium falciparum	tubulin epsilon chain, putative	0.0011	0.0017	0.2038
Trypanosoma brucei	alpha tubulin	0.0011	0.0017	0.1051
Echinococcus granulosus	tubulin alpha 3 chain	0.0011	0.0017	0.0255
Brugia malayi	Tubulin alpha-2 chain	0.0011	0.0017	0.0255
Loa Loa (eye worm)	cysteine protease	0.0013	0.0024	0.0246
Entamoeba histolytica	cysteine proteinase, putative	0.0013	0.0024	0.2853
Onchocerca volvulus		0.0013	0.0024	0.1495
Leishmania major	cathepsin L-like protease	0.005	0.0164	1
Leishmania major	beta tubulin	0.0029	0.0085	0.4589
Leishmania major	beta tubulin	0.0029	0.0085	0.4589
Trichomonas vaginalis	tubulin beta chain, putative	0.0011	0.0017	0.1147
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.005	0.0164	1
Echinococcus granulosus	peroxisome assembly protein 26	0.0011	0.0017	0.0255
Echinococcus granulosus	Tubulin alpha 1 chain	0.0011	0.0017	0.0255
Echinococcus granulosus	Tubulin beta 2C chain	0.0029	0.0085	0.1249
Trichomonas vaginalis	CMGC family protein kinase	0.0046	0.0151	1
Giardia lamblia	Beta tubulin	0.0029	0.0085	0.5059
Onchocerca volvulus		0.0013	0.0024	0.1495
Echinococcus multilocularis	hypothetical protein	0.0011	0.0017	0.0255
Mycobacterium ulcerans	3-dehydroquinate dehydratase	0.2628	1	0.5
Echinococcus granulosus	tubulin beta 4A class IVa	0.0029	0.0085	0.1249
Onchocerca volvulus	Cathepsin L homolog	0.0013	0.0024	0.1495
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0013	0.0024	0.1605
Brugia malayi	Cathepsin L-like precursor	0.0013	0.0024	0.0356
Toxoplasma gondii	beta tubulin	0.0029	0.0085	0.5059
Trypanosoma cruzi	major cysteine proteinase, putative	0.0039	0.0124	0.7525
Echinococcus multilocularis	Tubulin beta 2C chain	0.0029	0.0085	0.1249
Entamoeba histolytica	tubulin alpha chain, putative	0.0011	0.0017	0.2038
Leishmania major	cathepsin L-like protease	0.005	0.0164	1
Loa Loa (eye worm)	tubulin alpha chain	0.0011	0.0017	0.0143
Trypanosoma cruzi	beta tubulin, putative	0.0029	0.0085	0.5158
Echinococcus multilocularis	tubulin alpha chain	0.0011	0.0017	0.0255
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0013	0.0024	0.1605
Leishmania major	beta tubulin	0.0029	0.0085	0.4589
Echinococcus multilocularis	tubulin alpha 1C chain	0.0011	0.0017	0.0255
Trypanosoma brucei	beta tubulin	0.0029	0.0085	0.5158
Entamoeba histolytica	tubulin family protein	0.0029	0.0085	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.0011	0.0017	0.1147
Echinococcus granulosus	tubulin alpha chain	0.0011	0.0017	0.0255
Leishmania major	beta tubulin	0.0029	0.0085	0.4589
Echinococcus multilocularis	Tubulin beta 2C chain	0.0029	0.0085	0.1249
Trichomonas vaginalis	tubulin gamma chain, putative	0.0011	0.0017	0.1147
Entamoeba histolytica	hypothetical protein	0.0028	0.0082	0.9611
Leishmania major	cysteine peptidase A (CPA)	0.0013	0.0024	0.047
Schistosoma mansoni	tubulin subunit beta	0.0029	0.0085	0.5625
Toxoplasma gondii	beta-1 tubulin, putative	0.0029	0.0085	0.5059
Trypanosoma brucei	alpha tubulin	0.0011	0.0017	0.1051
Brugia malayi	Tubulin alpha chain	0.0011	0.0017	0.0255
Brugia malayi	MAP kinase sur-1	0.0046	0.0151	0.222
Echinococcus granulosus	beta tubulin	0.0029	0.0085	0.1249
Echinococcus multilocularis	tubulin subunit TubB	0.0011	0.0017	0.0255
Echinococcus multilocularis	beta tubulin	0.0029	0.0085	0.1249
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0029	0.0085	0.5625
Echinococcus granulosus	mitogen activated protein kinase	0.0046	0.0151	0.222
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.005	0.0164	1
Brugia malayi	alpha-tubulin	0.0011	0.0017	0.0255
Plasmodium vivax	tubulin epsilon chain, putative	0.0011	0.0017	0.2038
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0009	0.0008	0.0511
Onchocerca volvulus	Cathepsin L homolog	0.0013	0.0024	0.1495
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0013	0.0024	0.1605
Loa Loa (eye worm)	fibroinase	0.0013	0.0024	0.0246
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.005	0.0164	1
Loa Loa (eye worm)	tubulin beta chain	0.0029	0.0085	0.1149
Trichomonas vaginalis	tubulin beta chain, putative	0.0011	0.0017	0.1147
Echinococcus multilocularis	cysteine protease	0.0013	0.0024	0.0356
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0013	0.0024	0.1605
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0011	0.0017	0.1147
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0009	0.0008	0.0113
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0013	0.0024	0.2853
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0011	0.0017	0.0255
Entamoeba histolytica	tubulin alpha-1 chain	0.0011	0.0017	0.2038
Onchocerca volvulus		0.0013	0.0024	0.1495
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0013	0.0024	0.0356
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.005	0.0164	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0013	0.0024	0.1605
Echinococcus multilocularis	mitogen activated protein kinase	0.0046	0.0151	0.222
Trypanosoma cruzi	cysteine peptidase, putative	0.005	0.0164	1
Echinococcus multilocularis	survival motor neuron protein 1	0.0185	0.0679	1
Leishmania major	cathepsin L-like protease	0.0013	0.0024	0.047
Entamoeba histolytica	hypothetical protein	0.0028	0.0082	0.9611
Echinococcus granulosus	tubulin subunit beta	0.0029	0.0085	0.1249
Plasmodium vivax	tubulin gamma chain, putative	0.0011	0.0017	0.2038
Echinococcus granulosus	tubulin alpha 1C chain	0.0011	0.0017	0.0255
Leishmania major	cathepsin L-like protease	0.0013	0.0024	0.047
Trypanosoma cruzi	cruzipain precursor, putative	0.005	0.0164	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0011	0.0017	0.1147
Trichomonas vaginalis	CMGC family protein kinase	0.0046	0.0151	1
Echinococcus granulosus	beta tubulin	0.0029	0.0085	0.1249
Echinococcus granulosus	tubulin alpha chain	0.0011	0.0017	0.0255
Echinococcus multilocularis	tubulin epsilon chain	0.0011	0.0017	0.0255
Schistosoma mansoni	cathepsin F (C01 family)	0.0013	0.0024	0.1605
Schistosoma mansoni	tubulin subunit beta	0.0029	0.0085	0.5625
Trypanosoma brucei	beta tubulin	0.0029	0.0085	0.5158
Brugia malayi	beta-tubulin, identical	0.0029	0.0085	0.1249
Trypanosoma brucei	alpha tubulin	0.0011	0.0017	0.1051
Brugia malayi	Cathepsin L-like precursor	0.0013	0.0024	0.0356
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0046	0.0151	0.917
Schistosoma mansoni	tubulin subunit beta	0.0029	0.0085	0.5625
Echinococcus multilocularis	tubulin alpha	0.0011	0.0017	0.0255
Echinococcus granulosus	tubulin alpha chain	0.0011	0.0017	0.0255
Echinococcus granulosus	Tubulin beta 2C chain	0.0029	0.0085	0.1249
Entamoeba histolytica	tubulin gamma chain	0.0011	0.0017	0.2038
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0013	0.0024	0.1605
Plasmodium vivax	tubulin alpha chain, putative	0.0011	0.0017	0.2038
Brugia malayi	Tubulin alpha-2 chain	0.0011	0.0017	0.0255
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0013	0.0024	0.1605
Echinococcus granulosus	tubulin alpha 3 chain	0.0011	0.0017	0.0255
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0046	0.0151	0.9072
Onchocerca volvulus		0.0013	0.0024	0.1495
Echinococcus multilocularis	cathepsin L cysteine protease	0.0013	0.0024	0.0356
Onchocerca volvulus		0.0013	0.0024	0.1495
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0046	0.0151	0.2131
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0013	0.0024	0.1605
Echinococcus multilocularis	tubulin alpha 1C chain	0.0011	0.0017	0.0255
Schistosoma mansoni	tubulin subunit alpha	0.0011	0.0017	0.1147
Leishmania major	beta tubulin	0.0029	0.0085	0.4589
Leishmania major	beta tubulin	0.0029	0.0085	0.4589
Trypanosoma brucei	epsilon tubulin	0.0011	0.0017	0.1051
Schistosoma mansoni	survival motor neuron protein	0.0038	0.0118	0.7829
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0046	0.0151	0.917
Echinococcus multilocularis	tubulin alpha chain	0.0011	0.0017	0.0255
Brugia malayi	Cathepsin L-like precursor	0.0009	0.0008	0.0113
Leishmania major	beta tubulin	0.0029	0.0085	0.4589
Loa Loa (eye worm)	tubulin alpha chain	0.0011	0.0017	0.0143
Plasmodium falciparum	alpha tubulin 1	0.0011	0.0017	0.2038
Leishmania major	beta tubulin	0.0029	0.0085	0.4589
Entamoeba histolytica	tubulin family protein	0.0029	0.0085	1
Entamoeba histolytica	cysteine proteinase, putative	0.0009	0.0008	0.0908
Loa Loa (eye worm)	tubulin beta-4 chain	0.0029	0.0085	0.1149
Echinococcus granulosus	tubulin alpha chain	0.0011	0.0017	0.0255
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0013	0.0024	0.0246
Leishmania major	beta tubulin	0.0029	0.0085	0.4589
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0013	0.0024	0.0356
Plasmodium falciparum	alpha tubulin 2	0.0011	0.0017	0.2038
Toxoplasma gondii	beta-tubulin, putative	0.0029	0.0085	0.5059
Echinococcus multilocularis	cathepsin L cysteine protease	0.0013	0.0024	0.0356
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0028	0.0082	0.12
Echinococcus multilocularis	tubulin alpha chain	0.0011	0.0017	0.0255
Loa Loa (eye worm)	ctsf protein	0.0013	0.0024	0.0246

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= -9.85	Displacement of [125I]neurokinin A from human recombinant NK2 receptor	ChEMBL.	17850056
Log Ki (binding)	= 9.85	Displacement of [125I]neurokinin A from human recombinant NK2 receptor	ChEMBL.	17850056
Papp (ADMET)	= 1.1 10^-6 cm/s	Apparent permeability across human Caco2 cells	ChEMBL.	17850056
Papp (ADMET)	= 1.1 10^-6 cm/s	Apparent permeability across human Caco2 cells	ChEMBL.	17850056
pKb (functional)	= 8.5	Antagonist activity at NK2 receptor in Dunkin Hartley guinea pig circular smooth muscles assessed as effect on [betaAla8]NKA(4-10) induced contractions	ChEMBL.	17850056
pKb (functional)	= 8.5	Antagonist activity at NK2 receptor in Dunkin Hartley guinea pig circular smooth muscles assessed as effect on [betaAla8]NKA(4-10) induced contractions	ChEMBL.	17850056

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: CHEMBL395973
PubChem: 23627060

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 433979