TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 540.605 | Formula: C29H36N2O8
H donors: 2 H acceptors: 3 LogP: 2.97 Rotable bonds: 8
Rule of 5 violations (Lipinski): 2
SMILES: CO[C@@H]1[C@@H](OC(=O)c2ccc([nH]2)C)[C@@H](O)[C@@H](OC1(C)C)Oc1ccc2c(c1C)oc(=O)cc2CN1CCCC1
InChi: 1S/C29H36N2O8/c1-16-8-10-20(30-16)27(34)38-25-23(33)28(39-29(3,4)26(25)35-5)36-21-11-9-19-18(15-31-12-6-7-13-31)14-22(32)37-24(19)17(21)2/h8-11,14,23,25-26,28,30,33H,6-7,12-13,15H2,1-5H3/t23-,25+,26-,28-/m1/s1
InChiKey: NQLCXUMKJKJCJV-REEOSCTQSA-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

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	glutamyl tRNA synthetase cytoplasmic	0.0031	0.0429	0.1065
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0018	0.0083
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.009	0.0188
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0429	0.2017
Plasmodium falciparum	calcium-dependent protein kinase 2	0.0031	0.0445	0.0404
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0323	0.1518
Schistosoma mansoni	sugar transporter	0.0014	0.0042	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0042	0.0199
Entamoeba histolytica	prolyl-tRNA synthetase, putative	0.0031	0.0429	0.9253
Plasmodium falciparum	calcium-dependent protein kinase 3	0.0031	0.0445	0.0404
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0018	0.0083
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.0031	0.0429	0.1951
Plasmodium vivax	calcium-dependent protein kinase, putative	0.0031	0.0445	0.0404
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0031	0.0444	0.1104
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0013	0.0018	0.0083
Echinococcus multilocularis	solute carrier family 22	0.0014	0.0042	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0042	0.0199
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0018	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0243	0.1141
Loa Loa (eye worm)	hypothetical protein	0.0063	0.1205	0.5663
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0454	0.1973
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0018	0.0083
Mycobacterium leprae	Possible lysyl-tRNA synthetase 2 LysX	0.0023	0.0243	0.3046
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0018	0.0083
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0023	0.0243	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0042	0.0199
Trypanosoma cruzi	hexose transporter, putative	0.0032	0.0454	0.8107
Plasmodium vivax	hexose transporter	0.0102	0.2128	0.2094
Trypanosoma brucei	glucose transporter 2A	0.0032	0.0454	0.8107
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.009	0.0188
Brugia malayi	Sugar transporter family protein	0.0014	0.0042	0.0118
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0323	0.0282
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0042	0.0199
Plasmodium vivax	ataxin-2 like protein, putative	0.0026	0.0323	0.0282
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0031	0.0444	0.1104
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0013	0.0018	0.0083
Schistosoma mansoni	hypothetical protein	0.0035	0.0542	0.1357
Brugia malayi	Major Facilitator Superfamily protein	0.0014	0.0042	0.0118
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0454	0.8107
Toxoplasma gondii	calcium-dependent protein kinase CDPK3	0.0031	0.0445	0.0617
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0018	0.0083
Schistosoma mansoni	sugar transporter	0.0014	0.0042	0.0064
Echinococcus granulosus	solute carrier family 22	0.0014	0.0042	0.0064
Onchocerca volvulus		0.0014	0.0042	1
Onchocerca volvulus		0.0014	0.0042	1
Toxoplasma gondii	calcium-dependent protein kinase CDPK2B	0.0031	0.0445	0.0617
Echinococcus granulosus	short transient receptor potential channel 6	0.0066	0.1285	0.328
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0018	0.0083
Echinococcus multilocularis	solute carrier family 22	0.0014	0.0042	0.0064
Echinococcus granulosus	transient receptor potential ion channel A	0.0097	0.2016	0.5172
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0018	0.0083
Plasmodium vivax	calcium-dependent protein kinase 3, putative	0.0031	0.0445	0.0404
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0018	0.0083
Toxoplasma gondii	calcium-dependent protein kinase CDPK2A	0.0031	0.0445	0.0617
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0018	0.0083
Plasmodium falciparum	proline--tRNA ligase	0.0036	0.055	0.051
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0018	0.0083
Plasmodium vivax	calcium-dependent protein kinase 4, putative	0.0031	0.0445	0.0404
Brugia malayi	hypothetical protein	0.0014	0.0042	0.0118
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0013	0.0018	0.0083
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.009	0.0344
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0018	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0018	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0018	0.0083
Onchocerca volvulus		0.0014	0.0042	1
Toxoplasma gondii	prolyl-tRNA synthetase (ProRS)	0.0036	0.055	0.0779
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0042	0.0199
Schistosoma mansoni	hypothetical protein	0.0016	0.009	0.0188
Echinococcus granulosus	TRP transient receptor potential channel	0.0037	0.0592	0.1486
Schistosoma mansoni	hypothetical protein	0.0016	0.009	0.0188
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0036	0.055	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0018	0.0083
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0031	0.0429	0.1065
Echinococcus multilocularis	short transient receptor potential channel 6	0.0066	0.1285	0.328
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0102	0.2128	0.5462
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0013	0.0018	0.0083
Schistosoma mansoni	lysyl-tRNA synthetase	0.0023	0.0243	0.0583
Giardia lamblia	Lysyl-tRNA synthetase	0.0023	0.0243	0.5182
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0454	0.8107
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0042	0.0199
Trichomonas vaginalis	CAMK family protein kinase	0.0031	0.0444	0.1927
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0293	0.1375
Onchocerca volvulus		0.0014	0.0042	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.009	0.0424
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0018	0.0083
Echinococcus granulosus	solute carrier family 22	0.0014	0.0042	0.0064
Entamoeba histolytica	protein kinase, putative	0.0031	0.0444	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0429	0.2017
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0031	0.0444	0.1104
Plasmodium falciparum	lysine--tRNA ligase	0.0023	0.0243	0.0201
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0592	0.2781
Trichomonas vaginalis	conserved hypothetical protein	0.0102	0.2128	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0018	0.0083
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0102	0.2128	0.5462
Loa Loa (eye worm)	neuropeptide F receptor	0.0013	0.0018	0.0083
Loa Loa (eye worm)	melatonin receptor type 1A	0.0013	0.0018	0.0083
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0052	0.0931	0.4375
Echinococcus multilocularis	geminin	0.0175	0.3881	1
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0031	0.0444	0.1104
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0018	0.0083
Echinococcus granulosus	Sugar transporter ERD6 protein	0.0014	0.0042	0.0064
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.009	0.0344
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0454	0.8107
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0031	0.0444	0.1104
Schistosoma mansoni	protein kinase	0.0031	0.0444	0.1104
Loa Loa (eye worm)	hypothetical protein	0.01	0.2095	0.9848
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0542	0.2546
Giardia lamblia	Prolyl-tRNA synthetase	0.0031	0.0429	1
Entamoeba histolytica	protein kinase, putative	0.0031	0.0444	1
Brugia malayi	Bifunctional aminoacyl-tRNA synthetase	0.0031	0.0429	0.1951
Leishmania major	glucose transporter, lmgt3	0.0032	0.0454	0.8107
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0454	0.8107
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0102	0.2128	0.5462
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0454	0.8107
Trypanosoma brucei	PAB1-binding protein , putative	0.0026	0.0323	0.5529
Echinococcus multilocularis	GPCR, family 2	0.0016	0.009	0.0188
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0014	0.0042	0.0199
Onchocerca volvulus		0.0014	0.0042	1
Echinococcus multilocularis	transient receptor potential gamma protein	0.01	0.2095	0.5378
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0018	0.0083
Echinococcus multilocularis	transient receptor potential ion channel A	0.0097	0.2016	0.5172
Echinococcus granulosus	calcium dependent protein kinase	0.0029	0.0398	0.0985
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0018	0.0083
Echinococcus granulosus	solute carrier family 22	0.0014	0.0042	0.0064
Echinococcus granulosus	GPCR family 2	0.0016	0.009	0.0188
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0018	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0512	0.2405
Brugia malayi	Sugar transporter family protein	0.0102	0.2128	1
Plasmodium falciparum	calcium-dependent protein kinase 5	0.0031	0.0445	0.0404
Brugia malayi	Major Facilitator Superfamily protein	0.0014	0.0042	0.0118
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0052	0.0931	0.4328
Plasmodium vivax	mitogen-activated protein kinase 2, putative	0.0165	0.3622	0.3595
Toxoplasma gondii	protein kinase, putative	0.0288	0.6557	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0931	0.4375
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0036	0.055	1
Loa Loa (eye worm)	sugar transporter	0.0014	0.0042	0.0199
Onchocerca volvulus		0.0014	0.0042	1
Schistosoma mansoni	glucose transport protein	0.0102	0.2128	0.5462
Plasmodium falciparum	mitogen-activated protein kinase 2	0.0165	0.3622	0.3595
Trichomonas vaginalis	sugar transporter, putative	0.0032	0.0454	0.1973
Schistosoma mansoni	transient receptor potential channel	0.0066	0.1285	0.328
Loa Loa (eye worm)	neuropeptide F receptor	0.0013	0.0018	0.0083
Onchocerca volvulus		0.0014	0.0042	1
Echinococcus granulosus	General substrate transporter	0.0088	0.1787	0.4579
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0018	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0018	0.0083
Brugia malayi	Major Facilitator Superfamily protein	0.0014	0.0042	0.0118
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0042	0.0199
Chlamydia trachomatis	lysine--tRNA ligase	0.0023	0.0243	0.5
Trypanosoma brucei	calcium/calmodulin-dependent protein kinase, putative	0.0031	0.0444	0.7919
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0018	0.0083
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0454	0.8107
Echinococcus granulosus	lysyl tRNA synthetase	0.0023	0.0243	0.0583
Brugia malayi	hypothetical protein	0.0014	0.0042	0.0118
Trichomonas vaginalis	glucose transporter, putative	0.0032	0.0454	0.1973
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0102	0.2128	0.5462
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0032	0.0454	0.8107
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0018	0.0083
Trypanosoma brucei	lysyl-tRNA synthetase, putative	0.0023	0.0243	0.395
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.0542	0.2484
Loa Loa (eye worm)	CAMK/CAMK2 protein kinase	0.0031	0.0444	0.2088
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0454	0.1973
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0042	0.0199
Onchocerca volvulus		0.0014	0.0042	1
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0031	0.0444	0.2022
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0102	0.2128	0.5462
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0323	0.0282
Plasmodium falciparum	calcium-dependent protein kinase 4	0.0031	0.0445	0.0404
Echinococcus multilocularis	synaptic vesicle 2 protein	0.0014	0.0042	0.0064
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0031	0.0429	0.1065
Trypanosoma cruzi	hexose transporter, putative	0.0032	0.0454	0.8107
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0032	0.0454	0.8107
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0018	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0016	0.009	0.0424
Schistosoma mansoni	lysyl-tRNA synthetase	0.0023	0.0243	0.0583
Schistosoma mansoni	hypothetical protein	0.0016	0.009	0.0188
Leishmania major	glucose transporter, lmgt2	0.0032	0.0454	0.8107
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0018	0.0083
Echinococcus granulosus	synaptic vesicle 2 protein	0.0014	0.0042	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0018	0.0083
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0102	0.2128	0.5462
Echinococcus multilocularis	solute carrier family 22	0.0014	0.0042	0.0064
Leishmania major	glucose transporter, lmgt1	0.0032	0.0454	0.8107
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0042	0.0199
Plasmodium falciparum	hexose transporter	0.0102	0.2128	0.2094
Mycobacterium leprae	Probable prolyl tRNA synthetase ProS	0.0031	0.0429	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0018	0.0083
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.002	0.0176	0.0641
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0052	0.0931	0.4328
Brugia malayi	Transient-receptor-potential like protein	0.0037	0.0592	0.272
Trypanosoma brucei	bifunctional aminoacyl-tRNA synthetase, putative	0.0036	0.055	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0042	0.0199
Toxoplasma gondii	LsmAD domain-containing protein	0.0026	0.0323	0.0431
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0018	0.0083
Brugia malayi	Sugar transporter family protein	0.0014	0.0042	0.0118
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0042	0.0199
Trichomonas vaginalis	prolyl-tRNA synthetase, putative	0.0031	0.0429	0.1855
Onchocerca volvulus		0.0014	0.0042	1
Echinococcus multilocularis	calcium dependent protein kinase	0.0029	0.0398	0.0985
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0018	0.0083
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase ID	0.0031	0.0444	0.2088
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0032	0.0454	0.8107
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0444	0.2088
Trichomonas vaginalis	sugar transporter, putative	0.0032	0.0454	0.1973
Echinococcus multilocularis	solute carrier family 22	0.0014	0.0042	0.0064
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 2 LysX	0.0019	0.0161	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0042	0.0199
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0018	0.0083
Schistosoma mansoni	sugar transporter	0.0014	0.0042	0.0064
Loa Loa (eye worm)	sugar transporter	0.0102	0.2128	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0042	0.0199
Onchocerca volvulus		0.0014	0.0042	1
Schistosoma mansoni	transient receptor potential channel 4	0.01	0.2095	0.5378
Onchocerca volvulus		0.0014	0.0042	1
Plasmodium vivax	CDK-related protein kinase 6, putative	0.0432	1	1
Trypanosoma cruzi	hexose transporter, putative	0.0017	0.0113	0.1383
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0036	0.055	1
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0102	0.2128	0.5462
Onchocerca volvulus		0.0014	0.0042	1
Toxoplasma gondii	facilitative glucose transporter GT1	0.0102	0.2128	0.3201
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0018	0.0083
Schistosoma mansoni	glucose transporter	0.0014	0.0042	0.0064
Echinococcus granulosus	solute carrier family 22	0.0014	0.0042	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0018	0.0083
Onchocerca volvulus	Putative transporter	0.0014	0.0042	1
Brugia malayi	Cam kinase protein 1	0.0031	0.0444	0.2022
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type 1	0.0031	0.0444	0.1104
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0042	0.0199
Brugia malayi	major facilitator superfamily protein	0.0014	0.0042	0.0118
Plasmodium vivax	lysine--tRNA ligase, putative	0.0023	0.0243	0.0201
Toxoplasma gondii	lysine-tRNA ligase	0.0023	0.0243	0.0308
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0042	0.0199
Brugia malayi	major facilitator superfamily protein	0.0014	0.0042	0.0118
Echinococcus granulosus	geminin	0.0175	0.3881	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0323	0.5529
Leishmania major	lysyl-tRNA synthetase, putative	0.0023	0.0243	0.395
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0013	0.0018	0.0083
Trichomonas vaginalis	glucose transporter, putative	0.0032	0.0454	0.1973
Loa Loa (eye worm)	G-protein coupled receptor	0.0013	0.0018	0.0083
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0032	0.0454	0.8107
Loa Loa (eye worm)	G-protein coupled receptor	0.0013	0.0018	0.0083
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0031	0.0444	0.1104
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0036	0.055	1
Schistosoma mansoni	nuclear transcription factor X-box binding 1 (nfx1)	0.0014	0.0042	0.0064
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.009	0.0188
Schistosoma mansoni	glucose transport protein	0.0102	0.2128	0.5462
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0014	0.0042	0.0199
Trichomonas vaginalis	sugar transporter, putative	0.0032	0.0454	0.1973
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.0019	0.0161	1
Leishmania major	protein kinase, putative	0.0031	0.0444	0.7919
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0018	0.0083
Onchocerca volvulus		0.0014	0.0042	1
Echinococcus granulosus	short transient receptor potential channel 6	0.0066	0.1285	0.328
Echinococcus multilocularis	TRP (transient receptor potential) channel	0.0037	0.0592	0.1486
Trypanosoma cruzi	hexose transporter, putative	0.0032	0.0454	0.8107
Schistosoma mansoni	hypothetical protein	0.0175	0.3881	1
Brugia malayi	hypothetical protein	0.0026	0.0323	0.1447
Schistosoma mansoni	glucose transport protein	0.0102	0.2128	0.5462
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0018	0.0083
Onchocerca volvulus		0.0014	0.0042	1
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0454	0.8107
Loa Loa (eye worm)	TYRA-2 protein	0.0013	0.0018	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0018	0.0083
Schistosoma mansoni	serine/threonine protein kinase	0.0031	0.0444	0.1104
Plasmodium falciparum	calcium-dependent protein kinase 1	0.0031	0.0445	0.0404
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0018	0.0083
Echinococcus multilocularis	short transient receptor potential channel 6	0.0066	0.1285	0.328
Schistosoma mansoni	protein kinase	0.0031	0.0444	0.1104
Plasmodium vivax	proline--tRNA ligase, putative	0.0036	0.055	0.051
Echinococcus multilocularis	General substrate transporter	0.0088	0.1787	0.4579
Brugia malayi	lysyl-tRNA synthetase	0.0023	0.0243	0.1067
Wolbachia endosymbiont of Brugia malayi	major facilitator superfamily permease	0.0014	0.0042	0.5
Echinococcus multilocularis	lysyl tRNA synthetase	0.0023	0.0243	0.0583
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0018	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0018	0.0083
Echinococcus granulosus	transient receptor potential gamma protein	0.01	0.2095	0.5378
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0031	0.0444	0.1104
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0018	0.0083
Plasmodium vivax	calcium-dependent protein kinase 1, putative	0.0031	0.0445	0.0404
Onchocerca volvulus		0.0014	0.0042	1
Schistosoma mansoni	protein kinase	0.0031	0.0444	0.1104
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0023	0.0243	0.0961
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0018	0.0083
Echinococcus multilocularis	Sugar transporter ERD6 protein	0.0014	0.0042	0.0064
Leishmania major	hypothetical protein, conserved	0.0026	0.0323	0.5529
Onchocerca volvulus		0.0014	0.0042	1
Schistosoma mansoni	hypothetical protein	0.0102	0.2128	0.5462
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0018	0.0083
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.009	0.0188
Schistosoma mansoni	transient receptor potential channel	0.01	0.2095	0.5378
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0018	0.0083
Trypanosoma brucei	glucose transporter 1E	0.0032	0.0454	0.8107
Schistosoma mansoni	hypothetical protein	0.0175	0.3881	1
Echinococcus multilocularis	glutamyl tRNA synthetase cytoplasmic	0.0031	0.0429	0.1065
Toxoplasma gondii	cell-cycle-associated protein kinase MAPK, putative	0.0165	0.3622	0.5495
Schistosoma mansoni	hypothetical protein	0.0016	0.009	0.0188
Trypanosoma cruzi	lysyl-tRNA synthetase, putative	0.0023	0.0243	0.395
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0023	0.0243	1
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0102	0.2128	0.5462
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0323	0.5529
Schistosoma mansoni	sugar transporter	0.0014	0.0042	0.0064
Brugia malayi	hypothetical protein	0.0014	0.0042	0.0118
Schistosoma mansoni	transient receptor potential channel	0.0066	0.1285	0.328
Plasmodium falciparum	protein kinase 7	0.0288	0.6557	0.6542
Trypanosoma cruzi	hexose transporter	0.0032	0.0454	0.8107
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0454	0.8107
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0018	0.0083
Brugia malayi	hypothetical protein	0.0017	0.0103	0.0403

Activities

Activity type	Activity value	Assay description	Source	Reference
MIC (functional)	= 2.5 ug ml-1	In vitro antibacterial activity against S. aureus 011HT3	ChEMBL.	10522710
MIC (functional)	= 2.5 ug ml-1	In vitro antibacterial activity against S. epidermidis 012GO39 OxaTei-R	ChEMBL.	10522710
MIC (functional)	= 5 ug ml-1	In vitro antibacterial activity against S. aureus 011GO76 OfloOxaEry-R	ChEMBL.	10522710
MIC (functional)	= 10 ug ml-1	In vitro antibacterial activity against S. pyogenes O2A1UC1	ChEMBL.	10522710
MIC (functional)	= 40 ug ml-1	In vitro antibacterial activity against S. aureus 011HT1 Nov-R	ChEMBL.	10522710
MIC (functional)	> 40 ug ml-1	In vitro antibacterial activity against E. faecium 02D31P2 VanTeiEry-R	ChEMBL.	10522710
Ratio (binding)	= 0.5	In vitro inhibition of supercoiling activity of E. coli DNA gyrase as the ratio of IC50 of Novobiocin and IC50 of compound	ChEMBL.	10522710
Ratio (binding)	= 0.5	In vitro inhibition of supercoiling activity of E. coli DNA gyrase as the ratio of IC50 of Novobiocin and IC50 of compound	ChEMBL.	10522710

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: CHEMBL95239

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 161111