TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 598.705 | Formula: C32H43FN4O6
H donors: 4 H acceptors: 5 LogP: 5.3 Rotable bonds: 20
Rule of 5 violations (Lipinski): 2
SMILES: CCCC(C(=O)C(=O)N[C@H](c1ccccc1)C)NC(=O)C(NC(=O)[C@H](C(C)C)NC(=O)OC(C)C)Cc1ccc(cc1)F
InChi: 1S/C32H43FN4O6/c1-7-11-25(28(38)31(41)34-21(6)23-12-9-8-10-13-23)35-29(39)26(18-22-14-16-24(33)17-15-22)36-30(40)27(19(2)3)37-32(42)43-20(4)5/h8-10,12-17,19-21,25-27H,7,11,18H2,1-6H3,(H,34,41)(H,35,39)(H,36,40)(H,37,42)/t21-,25?,26?,27-/m0/s1
InChiKey: JCUILYCDWOWBAO-LLAPMXRRSA-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

Species	Target name	Source	Bibliographic reference
Human rhinovirus sp.	Human rhinovirus A protease	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
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0177	0.4358	0.8976
Schistosoma mansoni	calcium-transporting atpase sarcoplasmic/endoplasmic reticulum type (calcium pump)	0.0076	0.1655	0.1655
Brugia malayi	Na,K-ATPase alpha subunit	0.02	0.496	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0289	0.0267
Loa Loa (eye worm)	hypothetical protein	0.0139	0.3326	0.3311
Entamoeba histolytica	hypothetical protein	0.0022	0.0202	0.0841
Brugia malayi	Membrane calcium atpase protein 3	0.0076	0.1655	0.3308
Schistosoma mansoni	histone deacetylase	0.0052	0.1006	0.1006
Schistosoma mansoni	histone deacetylase 4 5	0.0015	0.0022	0.0022
Echinococcus multilocularis	calcium transporting atpase	0.0076	0.1655	0.1655
Onchocerca volvulus		0.0389	1	1
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0022	0.0202	0.0202
Schistosoma mansoni	ATPase	0.0069	0.1468	0.1468
Echinococcus multilocularis	nervana 2	0.0389	1	1
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0031	0.0447	0.0447
Echinococcus multilocularis	Rac GTPase activating protein 1	0.0022	0.0202	0.0202
Echinococcus multilocularis	nervana 2	0.0389	1	1
Trichomonas vaginalis	AGC family protein kinase	0.0031	0.0447	0.2313
Leishmania major	histone deacetylase, putative	0.0052	0.1006	0.6026
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0025	0.0294	0.1473
Echinococcus granulosus	sarco:endoplasmic reticulum calcium ATPase	0.0069	0.1468	0.1468
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0389	1	1
Brugia malayi	haloacid dehalogenase-like hydrolase family protein	0.0038	0.0652	0.1276
Onchocerca volvulus		0.0389	1	1
Echinococcus multilocularis	phospholipid transporting ATPase IF	0.0017	0.0083	0.0083
Trypanosoma cruzi	calcium-translocating P-type ATPase, putative	0.0038	0.0632	0.3737
Loa Loa (eye worm)	AGC/PKC/ALPHA protein kinase	0.0075	0.1628	0.161
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0055	0.1093	0.6456
Entamoeba histolytica	histone deacetylase, putative	0.0052	0.1006	0.5908
Trichomonas vaginalis	serine/threonine-protein kinase sgk, putative	0.003	0.0422	0.2159
Schistosoma mansoni	hypothetical protein	0.0187	0.4624	0.4624
Plasmodium falciparum	phospholipid-transporting ATPase, putative	0.0017	0.0083	0.0374
Schistosoma mansoni	diacylglycerol kinase theta	0.0022	0.0202	0.0202
Loa Loa (eye worm)	histone deacetylase 1	0.0052	0.1006	0.0986
Toxoplasma gondii	plasma membrane-type Ca(2+)-ATPase A1 PMCAA1	0.0076	0.1655	0.8852
Echinococcus multilocularis	guanine nucleotide exchange factor VAV2	0.0022	0.0202	0.0202
Mycobacterium ulcerans	zinc-dependent alcohol dehydrogenase	0.0084	0.1867	0.2811
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0031	0.0447	0.0426
Echinococcus multilocularis	calcium transporting ATPase type 2C member	0.0076	0.1655	0.1655
Trypanosoma cruzi	plasma membrane Ca2+ ATPase	0.0069	0.1468	0.8852
Toxoplasma gondii	sarco/endoplasmic reticulum Ca2+-ATPase	0.0076	0.1655	0.8852
Schistosoma mansoni	serine/threonine protein kinase	0.0022	0.0202	0.0202
Echinococcus granulosus	N chimaerin	0.0022	0.0202	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0366	0.0345
Echinococcus granulosus	calcium transporting atpase	0.0076	0.1655	0.1655
Brugia malayi	C1-like domain containing protein	0.0022	0.0227	0.0414
Loa Loa (eye worm)	hypothetical protein	0.0134	0.32	0.3185
Echinococcus multilocularis	histone deacetylase 3	0.0052	0.1006	0.1006
Brugia malayi	histone deacetylase 1 (HD1)	0.0052	0.1006	0.1993
Loa Loa (eye worm)	hypothetical protein	0.0108	0.2508	0.2492
Onchocerca volvulus		0.0022	0.0202	0.0181
Toxoplasma gondii	diacylglycerol kinase, putative	0.0022	0.0202	0.0978
Echinococcus granulosus	histone deacetylase 6	0.0015	0.0022	0.0022
Brugia malayi	calcium ATPase	0.0038	0.0652	0.1276
Trichomonas vaginalis	cation-transporting ATPase, putative	0.0069	0.1468	0.8807
Echinococcus granulosus	serine:threonine protein kinase N2	0.0055	0.1093	0.1093
Echinococcus multilocularis	plasma membrane calcium transporting ATPase	0.0076	0.1655	0.1655
Schistosoma mansoni	phospholipid-transporting atpase	0.0017	0.0083	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0202	0.0181
Schistosoma mansoni	na+/k+ atpase alpha subunit	0.02	0.496	0.496
Schistosoma mansoni	histone deacetylase hda2	0.0015	0.0022	0.0022
Trichomonas vaginalis	AGC family protein kinase	0.0031	0.0447	0.2313
Echinococcus granulosus	phospholipid transporting ATPase IF	0.0017	0.0083	0.0083
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0023	0.0238	0.0216
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0031	0.0447	0.0426
Schistosoma mansoni	histone deacetylase hda2	0.0015	0.0022	0.0022
Loa Loa (eye worm)	phospholipid-transporting ATPase ID	0.0017	0.0083	0.0061
Schistosoma mansoni	rac gtpase activating protein	0.0022	0.0202	0.0202
Trichomonas vaginalis	cation-transporting ATPase, putative	0.0038	0.0632	0.3494
Echinococcus granulosus	Na:K ATPase alpha subunit	0.02	0.496	0.496
Mycobacterium tuberculosis	Probable zinc-type alcohol dehydrogenase (E subunit) AdhE1	0.0074	0.1594	0.262
Schistosoma mansoni	atypical protein kinase C	0.0052	0.102	0.102
Echinococcus multilocularis	myotubularin protein 13	0.0022	0.0202	0.0202
Trichomonas vaginalis	AGC family protein kinase	0.0031	0.0447	0.2313
Echinococcus granulosus	protein kinase c epsilon type	0.0109	0.2546	0.2546
Trypanosoma brucei	phospholipid-transporting ATPase 1-like protein, putative	0.0017	0.0083	0.0374
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0202	0.0181
Schistosoma mansoni	plasma membrane calcium-transporting atpase	0.0076	0.1655	0.1655
Trypanosoma cruzi	calcium-translocating P-type ATPase, putative	0.0031	0.0465	0.271
Echinococcus multilocularis	Na+:K+ ATPase alpha subunit	0.02	0.496	0.496
Schistosoma mansoni	protein kinase	0.0104	0.2405	0.2405
Schistosoma mansoni	serine/threonine protein kinase	0.0031	0.0447	0.0447
Brugia malayi	RhoGAP domain containing protein	0.0022	0.0202	0.0365
Brugia malayi	phospholipid-translocating P-type ATPase, flippase family protein	0.0017	0.0083	0.0124
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0052	0.1006	0.5871
Trypanosoma cruzi	phospholipid-transporting ATPase 1-like protein, putative	0.0017	0.0083	0.0374
Trichomonas vaginalis	histone deacetylase, putative	0.0052	0.1006	0.5871
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0918	0.0898
Echinococcus granulosus	myotubularin protein 13	0.0022	0.0202	0.0202
Plasmodium vivax	P-type ATPase4, putative	0.0076	0.1655	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0632	0.0612
Trichomonas vaginalis	histone deacetylase, putative	0.0052	0.1006	0.5871
Schistosoma mansoni	sodium/potassium-dependent atpase beta subunit	0.0389	1	1
Loa Loa (eye worm)	hypothetical protein	0.0124	0.2934	0.2918
Echinococcus granulosus	histone deacetylase 7	0.0015	0.0022	0.0022
Trypanosoma brucei	vacuolar-type Ca2+-ATPase 2	0.0069	0.1468	0.8852
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0202	0.0181
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0202	0.0181
Trypanosoma brucei	calcium-translocating P-type ATPase	0.0076	0.1655	1
Loa Loa (eye worm)	hypothetical protein	0.0389	1	1
Trypanosoma brucei	phospholipid-translocating ATPase, putative	0.0017	0.0083	0.0374
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0202	0.0181
Brugia malayi	protein kinase C3,putative	0.0022	0.0227	0.0414
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0045	0.0023
Schistosoma mansoni	diacylglycerol kinase theta	0.0022	0.0202	0.0202
Toxoplasma gondii	AGC kinase	0.0031	0.0447	0.2302
Mycobacterium ulcerans	metal cation transporter p-type ATPase a	0.0193	0.4772	1
Toxoplasma gondii	P-type ATPase PMA1	0.0038	0.0632	0.3308
Entamoeba histolytica	phospholipid-transporting P-type ATPase, putative	0.0017	0.0083	0.0089
Entamoeba histolytica	plasma membrane calcium-transporting ATPase 1, putative	0.0031	0.0465	0.2494
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0031	0.0447	0.0447
Brugia malayi	Probable calcium-transporting ATPase KIAA0703	0.0048	0.0918	0.1815
Entamoeba histolytica	protein kinase, putative	0.0031	0.0447	0.2381
Schistosoma mansoni	vav2	0.0022	0.0202	0.0202
Entamoeba histolytica	protein kinase, putative	0.0031	0.0447	0.2381
Loa Loa (eye worm)	hypothetical protein	0.013	0.3081	0.3066
Schistosoma mansoni	protein kinase C	0.0025	0.0289	0.0289
Loa Loa (eye worm)	raf kinase	0.0022	0.0202	0.0181
Echinococcus granulosus	protein kinase c eta type	0.0022	0.0202	0.0202
Echinococcus multilocularis	C2 calcium dependent membrane targeting	0.0025	0.0289	0.0289
Loa Loa (eye worm)	calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type	0.0048	0.0918	0.0898
Brugia malayi	Protein kinase c protein 2	0.0097	0.2201	0.4414
Toxoplasma gondii	P-type ATPase4, putative	0.0076	0.1655	0.8852
Trypanosoma brucei	calcium-transporting ATPase, putative	0.0048	0.0918	0.5489
Echinococcus multilocularis	Diacylglycerol kinase theta	0.0022	0.0202	0.0202
Leishmania major	phospholipid-transporting ATPase 1-like protein	0.0017	0.0083	0.0374
Echinococcus granulosus	plasma membrane calcium transporting ATPase	0.0076	0.1655	0.1655
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0022	0.0202	0.0181
Trichomonas vaginalis	cation-transporting ATPase, putative	0.0069	0.1468	0.8807
Mycobacterium leprae	PROBABLE CATION-TRANSPORTER ATPASE I CTPI	0.0165	0.4035	1
Giardia lamblia	Plasma membrane calcium-transporting ATPase 2	0.0069	0.1468	0.2839
Loa Loa (eye worm)	hypothetical protein	0.0389	1	1
Brugia malayi	RhoGEF domain containing protein	0.0022	0.0202	0.0365
Schistosoma mansoni	alcohol dehydrogenase	0.0084	0.1867	0.1867
Mycobacterium ulcerans	metal cation-transporting p-type ATPase F, CtpF	0.0076	0.1655	0.2287
Loa Loa (eye worm)	hypothetical protein	0.0069	0.1468	0.1449
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0031	0.0447	0.0447
Echinococcus granulosus	histone deacetylase 6	0.0015	0.0022	0.0022
Brugia malayi	histone deacetylase 3 (HD3)	0.0052	0.1006	0.1993
Schistosoma mansoni	protein kinase C mu	0.0022	0.0202	0.0202
Entamoeba histolytica	phospholipid-transporting P-type ATPase, putative	0.0017	0.0083	0.0089
Schistosoma mansoni	histone deacetylase	0.0052	0.1006	0.1006
Trypanosoma cruzi	calcium-transporting ATPase, putative	0.0048	0.0918	0.5489
Plasmodium falciparum	histone deacetylase 1	0.0052	0.1006	0.6026
Echinococcus granulosus	serine:threonine protein kinase N2	0.0031	0.0447	0.0447
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0023	0.0238	0.0437
Toxoplasma gondii	histone deacetylase HDAC2	0.0052	0.1006	0.5334
Trypanosoma cruzi	Calcium ATPase SERCA-like	0.0069	0.1468	0.8852
Schistosoma mansoni	hypothetical protein	0.0022	0.0202	0.0202
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0052	0.1006	0.5871
Entamoeba histolytica	calcium-transporting P-type ATPase, putative	0.0076	0.1655	1
Onchocerca volvulus	Putative alcohol dehydrogenase	0.0084	0.1867	0.1849
Loa Loa (eye worm)	transbilayer Amphipath transporters family member	0.0017	0.0083	0.0061
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0202	0.0181
Schistosoma mansoni	phospholipid-transporting atpase	0.0017	0.0083	0.0083
Brugia malayi	Sodium/potassium-transporting ATPase alpha-3 chain, putative	0.0038	0.0632	0.1236
Schistosoma mansoni	protein kinase	0.0104	0.2405	0.2405
Echinococcus multilocularis	histone deacetylase 7	0.0015	0.0022	0.0022
Brugia malayi	latrophilin 2 splice variant baaae	0.0016	0.0045	0.0047
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0069	0.1468	0.8807
Trypanosoma cruzi	plasma membrane Ca2+ ATPase	0.0069	0.1468	0.8852
Echinococcus granulosus	phospholipid transporting atpase ih	0.0017	0.0083	0.0083
Entamoeba histolytica	phospholipid-transporting P-type ATPase, putative	0.0017	0.0083	0.0089
Brugia malayi	Variant SH3 domain containing protein	0.0022	0.0202	0.0365
Loa Loa (eye worm)	RasGEF domain-containing protein	0.0022	0.0202	0.0181
Schistosoma mansoni	sodium/potassium-dependent atpase beta subunit	0.0389	1	1
Echinococcus multilocularis	histone deacetylase 6	0.0015	0.0022	0.0022
Echinococcus multilocularis	histone deacetylase	0.0015	0.0022	0.0022
Entamoeba histolytica	diacylglycerol kinase, putative	0.0022	0.0202	0.0841
Leishmania major	vacuolar-type Ca2 -ATPase, putative	0.0069	0.1468	0.8852
Trichomonas vaginalis	AGC family protein kinase	0.0031	0.0447	0.2313
Echinococcus multilocularis	phospholipid transporting atpase ih phospholipid transporting atpase if	0.0017	0.0083	0.0083
Leishmania major	P-type H -ATPase, putative	0.0038	0.0632	0.3737
Trypanosoma cruzi	calcium motive p-type ATPase, putative	0.0076	0.1655	1
Entamoeba histolytica	phospholipid-transporting P-type ATPase, putative	0.0017	0.0083	0.0089
Echinococcus granulosus	sodium:potassium transporting ATPase subunit	0.0389	1	1
Trichomonas vaginalis	AGC family protein kinase	0.0031	0.0447	0.2313
Giardia lamblia	Potassium-transporting ATPase alpha chain 1	0.02	0.496	1
Echinococcus multilocularis	RNA directed DNA polymerase	0.0071	0.1518	0.1518
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0366	0.0345
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.0165	0.4025	1
Plasmodium falciparum	calcium-transporting ATPase	0.0076	0.1655	1
Schistosoma mansoni	serine/threonine protein kinase	0.0126	0.2995	0.2995
Entamoeba histolytica	Plasma membrane calcium-transporting ATPase, putative	0.0069	0.1468	0.8818
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0069	0.1468	0.8807
Schistosoma mansoni	unc-13 (munc13)	0.0025	0.0289	0.0289
Echinococcus granulosus	histone deacetylase	0.0015	0.0022	0.0022
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0031	0.0447	0.0447
Echinococcus multilocularis	unc 13 (munc13)	0.0025	0.0289	0.0289
Schistosoma mansoni	hypothetical protein	0.0016	0.0045	0.0045
Schistosoma mansoni	ATPase	0.0069	0.1468	0.1468
Leishmania major	histone deacetylase, putative	0.0052	0.1006	0.6026
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0202	0.0181
Giardia lamblia	Plasma membrane calcium-transporting ATPase 2	0.0069	0.1468	0.2839
Schistosoma mansoni	serine/threonine protein kinase	0.0031	0.0447	0.0447
Trypanosoma cruzi	P-type H+-ATPase, putative	0.0038	0.0632	0.3737
Echinococcus multilocularis	nervana 2	0.0389	1	1
Mycobacterium tuberculosis	Probable zinc-type alcohol dehydrogenase AdhD (aldehyde reductase)	0.0084	0.1867	0.3448
Mycobacterium ulcerans	zinc-containing alcohol dehydrogenase NAD-dependent AdhB	0.0084	0.1867	0.2811
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0389	1	1
Brugia malayi	Phorbol esters/diacylglycerol binding domain	0.0022	0.0227	0.0414
Echinococcus granulosus	histone deacetylase 6	0.0015	0.0022	0.0022
Echinococcus granulosus	Rac GTPase activating protein 1	0.0022	0.0202	0.0202
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0031	0.0447	0.26
Echinococcus granulosus	protein kinase c iota type	0.0052	0.102	0.102
Loa Loa (eye worm)	histone deacetylase 3	0.0052	0.1006	0.0986
Echinococcus multilocularis	N chimaerin	0.0022	0.0202	0.0202
Loa Loa (eye worm)	hypothetical protein	0.02	0.496	0.4948
Loa Loa (eye worm)	calcium ATPase	0.0038	0.0652	0.0631
Brugia malayi	RhoGAP domain containing protein	0.0022	0.0202	0.0365
Brugia malayi	Alcohol dehydrogenase class III	0.0084	0.1867	0.3736
Brugia malayi	protein kinase C II.	0.0109	0.2546	0.5111
Schistosoma mansoni	histone deacetylase 1 2 3	0.0015	0.0022	0.0022
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0031	0.0447	0.0426
Trypanosoma brucei	vacuolar-type Ca2+-ATPase, putative	0.0069	0.1468	0.8852
Trichomonas vaginalis	cation-transporting ATPase fungi, putative	0.0069	0.1468	0.8807
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0052	0.1006	0.5871
Echinococcus granulosus	nervana 2	0.0389	1	1
Echinococcus granulosus	RNA directed DNA polymerase	0.0071	0.1518	0.1518
Loa Loa (eye worm)	sodium/potassium-transporting ATPase subunit alpha	0.0172	0.4223	0.421
Echinococcus multilocularis	histone deacetylase 1	0.0052	0.1006	0.1006
Trichomonas vaginalis	AGC family protein kinase	0.0031	0.0447	0.2313
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0177	0.4358	0.8976
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0124	0.2924	0.2924
Entamoeba histolytica	plasma membrane calcium ion-transporting ATPase, putative	0.0045	0.082	0.4734
Leishmania major	P-type ATPase, putative	0.0076	0.1655	1
Brugia malayi	calcium ATPase	0.0038	0.0632	0.1236
Schistosoma mansoni	unc-13 (munc13)	0.0025	0.0289	0.0289
Echinococcus multilocularis	serine threonine protein kinase	0.0105	0.2421	0.2421
Echinococcus granulosus	plasma membrane calcium transporting ATPase 2	0.0076	0.1655	0.1655
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0085	0.1886	0.1886
Loa Loa (eye worm)	hypothetical protein	0.0092	0.2091	0.2073
Loa Loa (eye worm)	hypothetical protein	0.0155	0.3769	0.3755
Leishmania major	calcium motive p-type ATPase, putative	0.0076	0.1655	1
Echinococcus multilocularis	phospholipid transporting ATPase IA	0.0017	0.0083	0.0083
Echinococcus multilocularis	Ca2+ transporting ATPase plasma membrane	0.0076	0.1655	0.1655
Brugia malayi	Hr1 repeat family protein	0.0031	0.0447	0.086
Brugia malayi	p70 ribosomal S6 kinase beta	0.0031	0.0447	0.086
Toxoplasma gondii	Zn-containing alcohol dehydrogenase	0.0084	0.1867	1
Mycobacterium tuberculosis	Possible zinc-containing alcohol dehydrogenase NAD dependent AdhB	0.0074	0.1594	0.262
Echinococcus granulosus	histone deacetylase 8	0.0015	0.0022	0.0022
Schistosoma mansoni	plasma membrane calcium-transporting atpase	0.0076	0.1655	0.1655
Schistosoma mansoni	serine/threonine protein kinase	0.0022	0.0227	0.0227
Trypanosoma cruzi	P-type H+-ATPase, putative	0.0038	0.0632	0.3737
Leishmania major	aminophospholipid translocase, putative	0.0017	0.0083	0.0374
Trypanosoma brucei	P-type H+-ATPase, putative	0.0038	0.0632	0.3737
Leishmania major	phospholipid-translocating P-type ATPase (flippase), putative	0.0017	0.0083	0.0374
Echinococcus granulosus	NDR protein kinase	0.0031	0.0447	0.0447
Echinococcus multilocularis	protein kinase c iota type	0.0052	0.102	0.102
Schistosoma mansoni	Na+/K+ transporting ATPase subunit alpha	0.02	0.496	0.496
Onchocerca volvulus		0.0025	0.0289	0.0267
Schistosoma mansoni	serine/threonine protein kinase	0.0022	0.0227	0.0227
Brugia malayi	Protein kinase domain containing protein	0.0022	0.0227	0.0414
Echinococcus granulosus	Diacylglycerol kinase theta	0.0022	0.0202	0.0202
Schistosoma mansoni	protein kinase	0.0104	0.2405	0.2405
Entamoeba histolytica	protein kinase, putative	0.0031	0.0447	0.2381
Trichomonas vaginalis	AGC family protein kinase	0.0031	0.0447	0.2313
Brugia malayi	E1-E2 ATPase family protein	0.0045	0.082	0.1616
Echinococcus multilocularis	histone deacetylase 8	0.0015	0.0022	0.0022
Brugia malayi	Sodium/potassium-transporting ATPase alpha chain, putative	0.0172	0.4223	0.8508
Plasmodium falciparum	non-SERCA-type Ca2+ -transporting P-ATPase	0.0076	0.1655	1
Entamoeba histolytica	phospholipid-transporting ATPase IA, putative	0.0017	0.0083	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0052	0.1006	0.0986
Trypanosoma cruzi	plasma-membrane proton-efflux P-type ATPase, putative	0.0038	0.0632	0.3737
Trichomonas vaginalis	cation-transporting ATPase, putative	0.0069	0.1468	0.8807
Loa Loa (eye worm)	hypothetical protein	0.0071	0.1518	0.1499
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0238	0.0216
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0124	0.2924	0.2924
Echinococcus multilocularis	nervana 2	0.0389	1	1
Onchocerca volvulus		0.0193	0.4772	0.476
Echinococcus granulosus	Ca2 transporting ATPase plasma membrane	0.0076	0.1655	0.1655
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0104	0.2405	0.2405
Trypanosoma brucei	phospholipid-translocating P-type ATPase (flippase), putative	0.0017	0.0083	0.0374
Brugia malayi	diacylglycerol kinase	0.0022	0.0202	0.0365
Schistosoma mansoni	calcium-transporting atpase sarcoplasmic/endoplasmic reticulum type (calcium pump)	0.0076	0.1655	0.1655
Plasmodium vivax	histone deacetylase 1, putative	0.0052	0.1006	0.6026
Trichomonas vaginalis	histone deacetylase, putative	0.0052	0.1006	0.5871
Trichomonas vaginalis	AGC family protein kinase	0.0031	0.0447	0.2313
Trypanosoma cruzi	P-type H+-ATPase, putative	0.0038	0.0632	0.3737
Brugia malayi	Protein kinase domain containing protein	0.0031	0.0447	0.086
Loa Loa (eye worm)	AGC/PKC/IOTA protein kinase	0.0022	0.0227	0.0205
Echinococcus multilocularis	protein kinase c epsilon type	0.0109	0.2546	0.2546
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0031	0.0447	0.0426
Echinococcus multilocularis	sodium:potassium transporting ATPase subunit	0.0389	1	1
Brugia malayi	Histone deacetylase 1	0.0052	0.1006	0.1993
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0031	0.0447	0.0447
Entamoeba histolytica	phospholipid-transporting ATPase Neo1, putative	0.0017	0.0083	0.0089
Brugia malayi	Pleckstrin Homology Domain	0.0022	0.0202	0.0365
Toxoplasma gondii	histone deacetylase HDAC3	0.0052	0.1006	0.5334
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0031	0.0447	0.0447
Trichomonas vaginalis	histone deacetylase, putative	0.0052	0.1006	0.5871
Onchocerca volvulus		0.0022	0.0202	0.0181
Echinococcus multilocularis	sarco:endoplasmic reticulum calcium ATPase	0.0069	0.1468	0.1468
Echinococcus granulosus	nervana 2	0.0389	1	1
Echinococcus granulosus	calcium transporting ATPase type 2C member	0.0076	0.1655	0.1655
Echinococcus granulosus	C2 calcium dependent membrane targeting	0.0025	0.0289	0.0289
Echinococcus granulosus	histone deacetylase 3	0.0052	0.1006	0.1006
Brugia malayi	Ras association domain family 1 isoform A	0.0022	0.0202	0.0365
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0022	0.0202	0.0202
Schistosoma mansoni	serine/threonine protein kinase	0.0109	0.2546	0.2546
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0069	0.1468	0.8807
Leishmania major	vacuolar-type Ca2 -ATPase, putative	0.0069	0.1468	0.8852
Trichomonas vaginalis	AGC family protein kinase	0.0031	0.0447	0.2313
Trypanosoma cruzi	histone deacetylase 1, putative	0.0052	0.1006	0.6026
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0389	1	1
Brugia malayi	Protein kinase domain containing protein	0.0031	0.0447	0.086
Schistosoma mansoni	protein kinase C mu	0.0022	0.0227	0.0227
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0076	0.1655	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0202	0.0181
Entamoeba histolytica	Plasma membrane calcium-transporting ATPase, putative	0.0069	0.1468	0.8818
Trichomonas vaginalis	AGC family protein kinase	0.0031	0.0447	0.2313
Schistosoma mansoni	type V p-type atpase isoform	0.0017	0.0083	0.0083
Onchocerca volvulus		0.0108	0.2508	0.2492
Schistosoma mansoni	sodium / potassium ATPase beta chain	0.0389	1	1
Loa Loa (eye worm)	RhoGAP domain-containing protein	0.0022	0.0202	0.0181
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0109	0.2546	0.2529
Echinococcus multilocularis	raf serine:threonine protein kinase	0.0022	0.0202	0.0202
Echinococcus granulosus	nervana 2	0.0389	1	1
Trypanosoma brucei	calcium-transporting ATPase, putative	0.0017	0.0083	0.0374
Leishmania major	calcium-transporting ATPase, putative	0.0076	0.1655	1
Echinococcus multilocularis	histone deacetylase 6	0.0015	0.0022	0.0022
Mycobacterium ulcerans	zinc-containing alcohol dehydrogenase NAD dependent AdhB	0.0084	0.1867	0.2811
Entamoeba histolytica	diacylglycerol kinase, putative	0.0022	0.0202	0.0841
Toxoplasma gondii	calcium-translocating P-type ATPase, PMCA-type protein	0.0069	0.1468	0.7836
Loa Loa (eye worm)	Na,K-ATPase alpha subunit	0.02	0.496	0.4948
Trypanosoma brucei	P-type H+-ATPase, putative	0.0038	0.0632	0.3737
Brugia malayi	diacylglycerol kinase	0.0022	0.0202	0.0365
Brugia malayi	Calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type	0.0076	0.1655	0.3308
Loa Loa (eye worm)	Ras association domain family 1 isoform A	0.0022	0.0202	0.0181
Schistosoma mansoni	histone deacetylase 4 5	0.0015	0.0022	0.0022
Mycobacterium ulcerans	zinc-dependent alcohol dehydrogenase AdhE2	0.0084	0.1867	0.2811
Trichomonas vaginalis	AGC family protein kinase	0.0031	0.0447	0.2313
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0091	0.2052	0.4111
Plasmodium vivax	phospholipid-transporting ATPase, putative	0.0017	0.0083	0.0374
Echinococcus granulosus	histone deacetylase 1	0.0052	0.1006	0.1006
Echinococcus granulosus	Protein kinase C brain isozyme	0.0126	0.2995	0.2995
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0031	0.0447	0.0426
Entamoeba histolytica	Plasma membrane calcium-transporting ATPase, putative	0.0069	0.1468	0.8818
Trypanosoma cruzi	phospholipid-transporting ATPase 1-like protein, putative	0.0017	0.0083	0.0374
Schistosoma mansoni	serine/threonine protein kinase	0.0031	0.0447	0.0447
Echinococcus granulosus	Serine/threonine-protein kinase Genghis Khan	0.0022	0.0227	0.0227
Echinococcus granulosus	protein kinase C gamma type	0.0105	0.2421	0.2421
Schistosoma mansoni	transmemberane protein	0.0389	1	1
Entamoeba histolytica	plasma membrane calcium ion-transporting ATPase, putative	0.0038	0.0652	0.3676
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0031	0.0447	0.0447
Trypanosoma brucei	histone deacetylase 1	0.0052	0.1006	0.6026
Schistosoma mansoni	calcium-transporting atpase 2 (atpase 2)	0.0076	0.1655	0.1655
Echinococcus multilocularis	histone deacetylase 6	0.0015	0.0022	0.0022
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0069	0.1468	0.8807
Echinococcus granulosus	unc 13 munc13	0.0025	0.0289	0.0289
Entamoeba histolytica	phospholipid-transporting P-type ATPase, putative	0.0017	0.0083	0.0089
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase subunit type II alpha	0.0091	0.2052	0.2034
Loa Loa (eye worm)	E1-E2 ATPase	0.0038	0.0632	0.0612
Echinococcus granulosus	raf serine:threonine protein kinase	0.0022	0.0202	0.0202
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0104	0.2405	0.2405
Brugia malayi	Protein kinase domain containing protein	0.0031	0.0447	0.086
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0031	0.0447	0.0447
Trichomonas vaginalis	histone deacetylase, putative	0.0052	0.1006	0.5871
Trypanosoma cruzi	phospholipid-translocating ATPase, putative	0.0017	0.0083	0.0374
Plasmodium vivax	calcium-transporting ATPase, putative	0.0076	0.1655	1
Loa Loa (eye worm)	CAMK/PKD protein kinase	0.0022	0.0227	0.0205
Echinococcus granulosus	guanine nucleotide exchange factor VAV2	0.0022	0.0202	0.0202
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0031	0.0447	0.0426
Trypanosoma cruzi	histone deacetylase 1, putative	0.0052	0.1006	0.6026
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0389	1	1
Trypanosoma cruzi	calcium motive p-type ATPase, putative	0.0076	0.1655	1
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0389	1	1
Loa Loa (eye worm)	alcohol dehydrogenase class III	0.0084	0.1867	0.1849
Leishmania major	P-type H -ATPase, putative	0.0038	0.0632	0.3737
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0023	0.0238	0.0437
Trichomonas vaginalis	histone deacetylase, putative	0.0052	0.1006	0.5871
Schistosoma mansoni	serine/threonine kinase	0.0031	0.0447	0.0447
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0126	0.2995	0.2995
Mycobacterium ulcerans	zinc-type alcohol dehydrogenase AdhD	0.0084	0.1867	0.2811
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0202	0.0181
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0031	0.0447	0.0426
Schistosoma mansoni	serine/threonine protein kinase	0.0031	0.0447	0.0447
Loa Loa (eye worm)	hypothetical protein	0.0108	0.2508	0.2492
Giardia lamblia	Histone deacetylase	0.0052	0.1006	0.1893
Echinococcus multilocularis	Tetracycline resistance leader peptide, TetL	0.0076	0.1655	0.1655
Schistosoma mansoni	serine/threonine protein kinase	0.0126	0.2995	0.2995
Loa Loa (eye worm)	sodium potassium adenosine triphosphatase	0.0038	0.0632	0.0612
Trypanosoma brucei	calcium motive p-type ATPase, putative	0.0076	0.1655	1
Echinococcus granulosus	dnaJ subfamily B	0.0187	0.4624	0.4624
Echinococcus multilocularis	protein kinase c eta type	0.0022	0.0202	0.0202
Echinococcus multilocularis	dnaJ subfamily B	0.0187	0.4624	0.4624
Echinococcus granulosus	nervana 2	0.0389	1	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0028	0.0373	0.0373
Schistosoma mansoni	sodium/potassium-dependent atpase beta subunit	0.0389	1	1
Trypanosoma brucei	vacuolar-type Ca2+-ATPase 1	0.0069	0.1468	0.8852
Echinococcus granulosus	phospholipid transporting ATPase IA	0.0017	0.0083	0.0083
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.0071	0.1518	0.1518
Loa Loa (eye worm)	hypothetical protein	0.0108	0.2508	0.2492
Toxoplasma gondii	E1-E2 ATPase subfamily protein	0.0038	0.0632	0.3308
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0076	0.1655	1
Echinococcus multilocularis	serine:threonine protein kinase MRCK beta	0.0022	0.0227	0.0227
Entamoeba histolytica	protein kinase, putative	0.0031	0.0447	0.2381
Leishmania major	calcium-translocating P-type ATPase	0.0069	0.1468	0.8852

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 2.1 uM	Antiviral activity against human rhinovirus-14 (HRV-14) in HeLa-cells using cell assay	ChEMBL.	14505664
EC50 (functional)	= 37.3 uM	Antiviral activity against human rhinovirus-16 (HRV-16) in HeLa-cells using cell assay	ChEMBL.	14505664
EC50 (functional)	= 37.3 uM	Antiviral activity against human rhinovirus-16 (HRV-16) in HeLa-cells using cell assay	ChEMBL.	14505664
Ki (functional)	= 1.36 uM	Antiviral activity against human rhinovirus-14 (HRV-14) 3C protease using enzyme assay	ChEMBL.	14505664
Ki (functional)	= 1.36 uM	Antiviral activity against human rhinovirus-14 (HRV-14) 3C protease using enzyme assay	ChEMBL.	14505664
TC50 (functional)	= 100 uM	Cytotoxicity against HeLa cells was determined by using XTT cytotoxicity assay	ChEMBL.	14505664
TC50 (functional)	= 100 uM	Cytotoxicity against HeLa cells was determined by using XTT cytotoxicity assay	ChEMBL.	14505664

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: CHEMBL120688

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 208933