TDR Targets

Basic information

Technical information

TDR Targets ID: 422570
Name: 2-[(4S)-5-[4-(12-aminododecanoyl)piperazin-1- yl]-4-[(3-methylphenyl)sulfonylamino]-5-oxope ntyl]guanidine
MW: 593.825 | Formula: C29H51N7O4S
H donors: 4 H acceptors: 4 LogP: 2.95 Rotable bonds: 22
Rule of 5 violations (Lipinski): 2
SMILES: NCCCCCCCCCCCC(=O)N1CCN(CC1)C(=O)[C@@H](NS(=O)(=O)c1cccc(c1)C)CCCNC(=N)N
InChi: 1S/C29H51N7O4S/c1-24-13-11-14-25(23-24)41(39,40)34-26(15-12-18-33-29(31)32)28(38)36-21-19-35(20-22-36)27(37)16-9-7-5-3-2-4-6-8-10-17-30/h11,13-14,23,26,34H,2-10,12,15-22,30H2,1H3,(H4,31,32,33)/t26-/m0/s1
InChiKey: MMSGVKVRJOMARN-SANMLTNESA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

2-[(4S)-5-[4-(12-aminododecanoyl)piperazin-1-yl]-4-(m-tolylsulfonylamino)-5-oxo-pentyl]guanidine
2-[(4S)-5-[4-(12-amino-1-oxododecyl)-1-piperazinyl]-4-(m-tolylsulfonylamino)-5-oxopentyl]guanidine
2-[(4S)-5-[4-(12-azanyldodecanoyl)piperazin-1-yl]-4-[(3-methylphenyl)sulfonylamino]-5-oxo-pentyl]guanidine
2-[(4S)-5-[4-(12-aminododecanoyl)piperazino]-5-keto-4-(m-tolylsulfonylamino)pentyl]guanidine
2-[(4S)-5-[4-(12-aminododecanoyl)piperazin-1-yl]-4-[(3-methylphenyl)sulfonylamino]-5-oxo-pentyl]guanidine
2-[(4S)-5-[4-(12-amino-1-oxododecyl)-1-piperazinyl]-4-[(3-methylphenyl)sulfonylamino]-5-oxopentyl]guanidine
2-[(4S)-5-[4-(12-aminododecanoyl)piperazin-1-yl]-5-keto-4-[(3-methylphenyl)sulfonylamino]pentyl]guanidine

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	coagulation factor II (thrombin)	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
Trichomonas vaginalis	tubulin beta chain, putative	0.0071	0.3087	0.2648
Echinococcus multilocularis	tubulin alpha 3 chain	0.0071	0.3087	0.3087
Echinococcus granulosus	Tubulin beta 2C chain	0.0183	1	1
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0031	0.0596	0.0596
Loa Loa (eye worm)	tubulin beta-2A chain	0.0183	1	1
Echinococcus granulosus	tubulin alpha chain	0.0071	0.3087	0.3087
Brugia malayi	tubulin alpha chain - mouse	0.0071	0.3087	0.3087
Leishmania major	beta tubulin	0.0183	1	1
Loa Loa (eye worm)	tubulin alpha chain	0.0071	0.3087	0.3087
Schistosoma mansoni	tubulin subunit beta	0.0183	1	1
Leishmania major	beta tubulin	0.0183	1	1
Echinococcus multilocularis	peroxisome assembly protein 26	0.0071	0.3087	0.3087
Trichomonas vaginalis	tubulin alpha chain, putative	0.0183	1	1
Brugia malayi	tubulin alpha-2 chain	0.0071	0.3087	0.3087
Loa Loa (eye worm)	BEN-1 protein	0.0183	1	1
Schistosoma mansoni	hypothetical protein	0.0036	0.0902	0.0902
Trichomonas vaginalis	tubulin, putative	0.004	0.1176	0.0616
Trypanosoma cruzi	epsilon tubulin, putative	0.0071	0.3087	0.3087
Giardia lamblia	Beta tubulin	0.0183	1	1
Plasmodium vivax	tubulin beta chain, putative	0.0183	1	1
Brugia malayi	Tubulin alpha-2 chain	0.0071	0.3087	0.3087
Trichomonas vaginalis	tubulin, putative	0.0183	1	1
Leishmania major	alpha tubulin	0.0071	0.3087	0.3087
Echinococcus multilocularis	Tubulin beta 2C chain	0.0183	1	1
Trypanosoma brucei	beta tubulin	0.0183	1	1
Plasmodium falciparum	alpha tubulin 2	0.0071	0.3087	0.3087
Echinococcus granulosus	tubulin gamma 1 chain	0.0071	0.3087	0.3087
Trypanosoma cruzi	zeta tubulin, putative	0.0031	0.0596	0.0596
Echinococcus granulosus	tubulin epsilon chain	0.0071	0.3087	0.3087
Entamoeba histolytica	tubulin alpha chain, putative	0.0071	0.3087	0.2401
Trichomonas vaginalis	tubulin alpha chain, putative	0.004	0.1176	0.0616
Leishmania major	beta tubulin	0.0183	1	1
Loa Loa (eye worm)	tubulin alpha chain	0.0071	0.3087	0.3087
Trichomonas vaginalis	tubulin alpha chain, putative	0.004	0.1176	0.0616
Leishmania major	beta tubulin	0.0183	1	1
Leishmania major	alpha tubulin	0.0071	0.3087	0.3087
Echinococcus granulosus	tubulin alpha 3 chain	0.0071	0.3087	0.3087
Echinococcus granulosus	tubulin alpha chain	0.0071	0.3087	0.3087
Trichomonas vaginalis	tubulin beta chain, putative	0.0071	0.3087	0.2648
Leishmania major	epsilon tubulin, putative	0.0071	0.3087	0.3087
Trypanosoma brucei	alpha tubulin	0.0071	0.3087	0.2648
Echinococcus multilocularis	tubulin alpha chain	0.0071	0.3087	0.3087
Loa Loa (eye worm)	tubulin beta chain	0.0183	1	1
Schistosoma mansoni	tubulin subunit alpha	0.0071	0.3087	0.3087
Loa Loa (eye worm)	hypothetical protein	0.005	0.1757	0.1757
Schistosoma mansoni	tubulin subunit epsilon	0.0071	0.3087	0.3087
Brugia malayi	Tubulin beta chain	0.004	0.1176	0.1176
Giardia lamblia	Alpha-tubulin	0.0071	0.3087	0.2648
Loa Loa (eye worm)	BEN-1 protein	0.0183	1	1
Loa Loa (eye worm)	alpha-tubulin	0.0071	0.3087	0.3087
Echinococcus granulosus	Tubulin alpha 1 chain	0.0071	0.3087	0.3087
Schistosoma mansoni	tubulin subunit delta	0.0031	0.0596	0.0596
Echinococcus multilocularis	tubulin beta 1 chain	0.0183	1	1
Trypanosoma cruzi	zeta tubulin, putative	0.0031	0.0596	0.0596
Mycobacterium ulcerans	cell division protein FtsZ	0.0031	0.0596	0.5
Echinococcus granulosus	tubulin alpha 3 chain	0.0071	0.3087	0.3087
Echinococcus granulosus	Tubulin alpha 1 chain	0.0071	0.3087	0.3087
Echinococcus multilocularis	beta tubulin	0.0183	1	1
Leishmania major	alpha tubulin	0.0071	0.3087	0.3087
Echinococcus multilocularis	tubulin alpha 3 chain	0.0071	0.3087	0.3087
Leishmania major	delta tubulin, putative	0.0031	0.0596	0.0596
Trichomonas vaginalis	tubulin beta chain, putative	0.0071	0.3087	0.2648
Trichomonas vaginalis	tubulin beta chain, putative	0.004	0.1176	0.0616
Echinococcus granulosus	geminin	0.0169	0.9127	0.9127
Loa Loa (eye worm)	transcription factor SMAD2	0.0119	0.6042	0.6042
Echinococcus multilocularis	tubulin alpha 1C chain	0.0071	0.3087	0.3087
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0071	0.3087	0.3087
Leishmania major	beta tubulin	0.0183	1	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.1757	0.1757
Trypanosoma cruzi	tubulin delta chain	0.0031	0.0596	0.0596
Toxoplasma gondii	alpha-tubulin I, putative	0.0071	0.3087	0.3087
Loa Loa (eye worm)	hypothetical protein	0.0071	0.3087	0.3087
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0183	1	1
Entamoeba histolytica	tubulin family protein	0.0183	1	1
Brugia malayi	Tubulin alpha chain	0.0071	0.3087	0.3087
Schistosoma mansoni	alpha tubulin	0.0071	0.3087	0.3087
Mycobacterium tuberculosis	Cell division protein FtsZ	0.0031	0.0596	0.5
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.004	0.1176	0.0616
Loa Loa (eye worm)	beta-tubulin	0.0183	1	1
Leishmania major	beta tubulin	0.0183	1	1
Brugia malayi	Cell division protein ftsZ	0.0031	0.0596	0.0596
Leishmania major	beta tubulin	0.0183	1	1
Brugia malayi	MH2 domain containing protein	0.0119	0.6042	0.6042
Echinococcus multilocularis	Tubulin beta 2C chain	0.0183	1	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.1757	0.1757
Trypanosoma brucei	tubulin gamma chain	0.0071	0.3087	0.2648
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.1757	0.1757
Echinococcus granulosus	tubulin subunit beta	0.0183	1	1
Plasmodium vivax	tubulin gamma chain, putative	0.0071	0.3087	0.3087
Echinococcus multilocularis	tubulin alpha	0.0071	0.3087	0.3087
Loa Loa (eye worm)	tubulin alpha 2	0.004	0.1176	0.1176
Loa Loa (eye worm)	tubulin alpha 2	0.004	0.1176	0.1176
Trypanosoma brucei	beta tubulin	0.0183	1	1
Schistosoma mansoni	hypothetical protein	0.0169	0.9127	0.9127
Loa Loa (eye worm)	tubulin gamma chain	0.0071	0.3087	0.3087
Toxoplasma gondii	beta-1 tubulin, putative	0.0183	1	1
Echinococcus multilocularis	tubulin alpha chain	0.0071	0.3087	0.3087
Schistosoma mansoni	tubulin subunit beta	0.0031	0.0596	0.0596
Trichomonas vaginalis	tubulin gamma chain, putative	0.0183	1	1
Schistosoma mansoni	tubulin subunit beta	0.0183	1	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0183	1	1
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0031	0.0596	0.0596
Plasmodium falciparum	tubulin gamma chain	0.0071	0.3087	0.3087
Leishmania major	alpha tubulin	0.0071	0.3087	0.3087
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0071	0.3087	0.3087
Leishmania major	beta tubulin	0.0183	1	1
Echinococcus granulosus	tubulin delta chain	0.0031	0.0596	0.0596
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0183	1	1
Echinococcus granulosus	alpha tubulin	0.0071	0.3087	0.3087
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0071	0.3087	0.3087
Toxoplasma gondii	beta tubulin	0.0183	1	1
Trypanosoma cruzi	tubulin gamma chain	0.0071	0.3087	0.3087
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0183	1	1
Trypanosoma cruzi	alpha tubulin, putative	0.0071	0.3087	0.3087
Echinococcus multilocularis	beta tubulin	0.0183	1	1
Loa Loa (eye worm)	tubulin alpha-3 chain	0.0031	0.0596	0.0596
Leishmania major	alpha tubulin	0.0071	0.3087	0.3087
Brugia malayi	Tubulin beta chain	0.0031	0.0596	0.0596
Schistosoma mansoni	tubulin subunit alpha	0.0071	0.3087	0.3087
Echinococcus granulosus	tubulin subunit TubB	0.0071	0.3087	0.3087
Echinococcus multilocularis	tubulin alpha chain	0.0071	0.3087	0.3087
Schistosoma mansoni	tubulin subunit alpha	0.0031	0.0596	0.0596
Echinococcus granulosus	tubulin alpha 1C chain	0.0071	0.3087	0.3087
Toxoplasma gondii	beta-tubulin, putative	0.0183	1	1
Plasmodium vivax	delta tubulin, putative	0.0031	0.0596	0.0596
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0785	0.0785
Leishmania major	beta tubulin	0.0183	1	1
Loa Loa (eye worm)	tubulin beta-1 chain	0.0183	1	1
Trypanosoma brucei	alpha tubulin	0.0071	0.3087	0.2648
Schistosoma mansoni	hypothetical protein	0.0034	0.0785	0.0785
Echinococcus multilocularis	tubulin alpha chain	0.0071	0.3087	0.3087
Brugia malayi	Tubulin alpha-2 chain	0.0071	0.3087	0.3087
Schistosoma mansoni	alpha tubulin	0.0071	0.3087	0.3087
Trypanosoma brucei	epsilon tubulin	0.0071	0.3087	0.2648
Trypanosoma brucei	alpha tubulin	0.0071	0.3087	0.2648
Leishmania major	alpha tubulin	0.0071	0.3087	0.3087
Echinococcus granulosus	tubulin alpha chain	0.0071	0.3087	0.3087
Entamoeba histolytica	tubulin family protein	0.0183	1	1
Echinococcus multilocularis	tubulin alpha 1C chain	0.0071	0.3087	0.3087
Leishmania major	beta tubulin	0.0183	1	1
Leishmania major	beta tubulin	0.0183	1	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0183	1	1
Leishmania major	beta tubulin	0.0183	1	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0183	1	1
Loa Loa (eye worm)	alpha-tubulin	0.0071	0.3087	0.3087
Leishmania major	beta tubulin	0.0183	1	1
Echinococcus multilocularis	tubulin alpha chain	0.0071	0.3087	0.3087
Schistosoma mansoni	tubulin subunit beta	0.0183	1	1
Echinococcus multilocularis	tubulin delta chain	0.0031	0.0596	0.0596
Trypanosoma brucei	alpha tubulin, putative	0.004	0.1176	0.0616
Echinococcus granulosus	tubulin alpha chain	0.0071	0.3087	0.3087
Trichomonas vaginalis	tubulin gamma chain, putative	0.0071	0.3087	0.2648
Trichomonas vaginalis	tubulin gamma chain, putative	0.0071	0.3087	0.2648
Schistosoma mansoni	tubulin subunit gamma	0.0071	0.3087	0.3087
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0902	0.0902
Trichomonas vaginalis	tubulin, putative	0.004	0.1176	0.0616
Echinococcus granulosus	Tubulin beta 2C chain	0.0183	1	1
Trypanosoma cruzi	epsilon tubulin, putative	0.0071	0.3087	0.3087
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0902	0.0902
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0071	0.3087	0.2648
Leishmania major	beta tubulin	0.0183	1	1
Wolbachia endosymbiont of Brugia malayi	cell division protein FtsZ	0.0031	0.0596	0.5
Echinococcus granulosus	beta tubulin	0.0183	1	1
Leishmania major	zeta tubulin, putative	0.0031	0.0596	0.0596
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0596	0.0596
Loa Loa (eye worm)	MH2 domain-containing protein	0.0119	0.6042	0.6042
Echinococcus granulosus	beta tubulin	0.0183	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0071	0.3087	0.2648
Loa Loa (eye worm)	tubulin beta chain	0.0031	0.0596	0.0596
Brugia malayi	hypothetical protein	0.0036	0.0902	0.0902
Trypanosoma cruzi	tubulin delta chain	0.0031	0.0596	0.0596
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0071	0.3087	0.2648
Giardia lamblia	Gamma tubulin	0.0071	0.3087	0.2648
Trichomonas vaginalis	tubulin alpha chain, putative	0.0071	0.3087	0.2648
Trypanosoma brucei	beta tubulin	0.0071	0.3087	0.2648
Echinococcus multilocularis	geminin	0.0169	0.9127	0.9127
Plasmodium falciparum	tubulin beta chain	0.0183	1	1
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.004	0.1176	0.1176
Onchocerca volvulus		0.004	0.1176	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0183	1	1
Leishmania major	beta tubulin	0.0183	1	1
Entamoeba histolytica	tubulin alpha-1 chain	0.0071	0.3087	0.2401
Echinococcus granulosus	tubulin alpha chain	0.0071	0.3087	0.3087
Brugia malayi	alpha-tubulin	0.0071	0.3087	0.3087
Leishmania major	beta tubulin	0.0183	1	1
Giardia lamblia	Beta tubulin	0.0183	1	1
Trypanosoma brucei	alpha tubulin	0.0071	0.3087	0.2648
Schistosoma mansoni	tubulin subunit beta	0.0183	1	1
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0071	0.3087	0.3087
Loa Loa (eye worm)	hypothetical protein	0.004	0.1176	0.1176
Trypanosoma brucei	beta tubulin	0.0183	1	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.0071	0.3087	0.3087
Trichomonas vaginalis	tubulin beta chain, putative	0.0071	0.3087	0.2648
Schistosoma mansoni	tubulin subunit alpha	0.0071	0.3087	0.3087
Leishmania major	beta tubulin	0.0183	1	1
Plasmodium vivax	tubulin epsilon chain, putative	0.0071	0.3087	0.3087
Trypanosoma brucei	epsilon tubulin	0.0071	0.3087	0.2648
Leishmania major	alpha tubulin	0.0071	0.3087	0.3087
Leishmania major	gamma-tubulin	0.0071	0.3087	0.3087
Echinococcus granulosus	tubulin alpha 1C chain	0.0071	0.3087	0.3087
Toxoplasma gondii	alpha tubulin TUBA1	0.0071	0.3087	0.3087
Giardia lamblia	Alpha-tubulin	0.0071	0.3087	0.2648
Trypanosoma cruzi	beta tubulin, putative	0.0183	1	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0183	1	1
Echinococcus multilocularis	hypothetical protein	0.0071	0.3087	0.3087
Echinococcus granulosus	peroxisome assembly protein 26	0.0071	0.3087	0.3087
Treponema pallidum	cell division protein FtsZ	0.0031	0.0596	0.5
Echinococcus multilocularis	tubulin gamma 1 chain	0.0071	0.3087	0.3087
Schistosoma mansoni	alpha tubulin	0.0071	0.3087	0.3087
Leishmania major	alpha tubulin	0.0071	0.3087	0.3087
Echinococcus granulosus	tubulin beta 4A class IVa	0.0183	1	1
Brugia malayi	Tubulin gamma chain	0.0071	0.3087	0.3087
Schistosoma mansoni	tubulin subunit beta	0.0183	1	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.004	0.1176	0.0616
Echinococcus multilocularis	tubulin subunit beta	0.0183	1	1
Brugia malayi	Tubulin alpha chain	0.0031	0.0596	0.0596
Plasmodium falciparum	alpha tubulin 1	0.0071	0.3087	0.3087
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0902	0.0902
Trichomonas vaginalis	tubulin beta chain, putative	0.0071	0.3087	0.2648
Plasmodium falciparum	tubulin epsilon chain, putative	0.0071	0.3087	0.3087
Schistosoma mansoni	hypothetical protein	0.0169	0.9127	0.9127
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0071	0.3087	0.3087
Entamoeba histolytica	tubulin gamma chain	0.0071	0.3087	0.2401
Leishmania major	beta tubulin	0.0183	1	1
Trypanosoma brucei	epsilon tubulin	0.0071	0.3087	0.2648
Plasmodium falciparum	tubulin delta chain, putative	0.0031	0.0596	0.0596
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0785	0.0785
Echinococcus granulosus	tubulin beta 1 chain	0.0183	1	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.004	0.1176	0.0616
Schistosoma mansoni	tubulin subunit beta	0.0183	1	1
Leishmania major	alpha tubulin	0.0071	0.3087	0.3087
Brugia malayi	beta-tubulin, identical	0.0183	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0183	1	1
Leishmania major	alpha tubulin	0.0071	0.3087	0.3087
Plasmodium vivax	tubulin alpha chain, putative	0.0071	0.3087	0.3087
Echinococcus multilocularis	tubulin epsilon chain	0.0071	0.3087	0.3087
Trypanosoma brucei	beta tubulin	0.0183	1	1
Leishmania major	alpha tubulin	0.0071	0.3087	0.3087
Echinococcus granulosus	tubulin alpha	0.0071	0.3087	0.3087
Echinococcus granulosus	Tubulin beta 2C chain	0.0183	1	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0071	0.3087	0.2648
Giardia lamblia	Beta tubulin	0.0183	1	1
Leishmania major	alpha tubulin	0.0071	0.3087	0.3087
Plasmodium vivax	tubulin alpha chain, putative	0.0071	0.3087	0.3087
Loa Loa (eye worm)	tubulin beta-4 chain	0.0183	1	1
Echinococcus multilocularis	tubulin subunit TubB	0.0071	0.3087	0.3087
Mycobacterium leprae	cell division protein FtsZ	0.0031	0.0596	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 3.7 uM	Inhibition of human alpha thrombin	ChEMBL.	17010480
Ki (binding)	= 3.7 uM	Inhibition of human alpha thrombin	ChEMBL.	17010480

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

PubChem: 16111827

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 422570