TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 446.533 | Formula: C25H34O7
H donors: 0 H acceptors: 1 LogP: 4.95 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)CCc1ccc(cc1)O[C@@H]1O[C@@H]2O[C@@]3(C)CCC4C2(C([C@@H]1C)CC[C@@H]4C)OO3
InChi: 1S/C25H34O7/c1-15-5-11-20-16(2)22(28-18-9-6-17(7-10-18)8-12-21(26)27-4)29-23-25(20)19(15)13-14-24(3,30-23)31-32-25/h6-7,9-10,15-16,19-20,22-23H,5,8,11-14H2,1-4H3/t15-,16-,19?,20?,22+,23-,24-,25?/m1/s1
InChiKey: JLFLRGQBPWCYHM-IKMRZOLDSA-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
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0024	0.0014	0.0011
Entamoeba histolytica	hypothetical protein	0.0023	0.0012	0.2826
Trypanosoma cruzi	hypothetical protein, conserved	0.0034	0.0027	0.003
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0017	0.0017
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0005	0.0003
Toxoplasma gondii	kringle domain-containing protein	0.1251	0.1755	0.2382
Brugia malayi	Pyruvate kinase, M2 isozyme	0.0033	0.0026	0.0026
Echinococcus granulosus	pyruvate kinase	0.0033	0.0026	0.0023
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0018	0.0004	0.0000066329
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0018	0.0004	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0029	0.002	0.002
Echinococcus multilocularis	enteropeptidase	0.0199	0.0262	0.0259
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0007	0.0024
Echinococcus multilocularis	tissue type plasminogen activator	0.1251	0.1755	0.1753
Trypanosoma brucei	pyruvate kinase 1	0.0033	0.0026	0.0029
Echinococcus granulosus	histone lysine methyltransferase setb	0.0031	0.0022	0.002
Onchocerca volvulus		0.026	0.0347	0.1467
Giardia lamblia	GTOR	0.0018	0.0004	0.0134
Schistosoma mansoni	intermediate filament proteins	0.0028	0.0018	0.0015
Onchocerca volvulus		0.0199	0.0262	0.1085
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.002	0.0007	0.0024
Schistosoma mansoni	hypothetical protein	0.0037	0.0031	0.0028
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0018	0.0004	0.0004
Loa Loa (eye worm)	thymidylate synthase	0.1609	0.2262	0.2262
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0021	0.0009	0.0662
Trypanosoma cruzi	hypothetical protein, conserved	0.0034	0.0027	0.003
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0021	0.0009	0.0008
Brugia malayi	hypothetical protein	0.0765	0.1065	0.1065
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0199	0.0262	0.0259
Brugia malayi	hypothetical protein	0.0037	0.0031	0.0031
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0007	0.0024
Brugia malayi	intermediate filament protein	0.0028	0.0018	0.0018
Onchocerca volvulus		0.0199	0.0262	0.1085
Loa Loa (eye worm)	MH2 domain-containing protein	0.0245	0.0327	0.0327
Loa Loa (eye worm)	phosphatidylinositol 3	0.0018	0.0004	0.0004
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0022	0.002
Trichomonas vaginalis	modulator of drug activity B, putative	0.002	0.0007	0.0024
Toxoplasma gondii	exonuclease III APE	0.0019	0.0005	0.0003
Schistosoma mansoni	hypothetical protein	0.0032	0.0024	0.0021
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.1609	0.2262	0.226
Echinococcus granulosus	dihydrofolate reductase	0.7061	1	1
Leishmania major	hypothetical protein, conserved	0.0034	0.0027	0.003
Loa Loa (eye worm)	hypothetical protein	0.0459	0.063	0.063
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.5201	0.736	1
Loa Loa (eye worm)	pyruvate kinase	0.0033	0.0026	0.0026
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0043	0.0043
Giardia lamblia	NADPH oxidoreductase, putative	0.0078	0.009	1
Onchocerca volvulus		0.0242	0.0323	0.1356
Echinococcus multilocularis	serine protein kinase ATM	0.0024	0.0014	0.0011
Brugia malayi	RNA, U transporter 1	0.0081	0.0094	0.0094
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0043	0.0041
Schistosoma mansoni	pyruvate kinase	0.0033	0.0026	0.0023
Loa Loa (eye worm)	phosphatidylinositol 3	0.0018	0.0004	0.0004
Brugia malayi	Importin beta-1 subunit	0.0029	0.002	0.002
Trichomonas vaginalis	FMN-dependent NADH-azoreductase, putative	0.002	0.0007	0.0024
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0213	0.0281	0.0281
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0032	0.0024	0.0021
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0076	0.0076
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0028	0.0018	0.0018
Trichomonas vaginalis	conserved hypothetical protein	0.0078	0.009	0.0809
Entamoeba histolytica	Ran family GTPase	0.0021	0.0009	0.1701
Loa Loa (eye worm)	hypothetical protein	0.0199	0.0262	0.0262
Echinococcus multilocularis	importin subunit beta 1	0.0029	0.002	0.0017
Trichomonas vaginalis	modulator of drug activity B, putative	0.002	0.0007	0.0024
Schistosoma mansoni	cercarial elastase (S01 family)	0.0199	0.0262	0.0259
Loa Loa (eye worm)	trypsin family protein	0.0199	0.0262	0.0262
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0005	0.0002
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0019	0.0005	0.0272
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0018	0.0004	0.0002
Trichomonas vaginalis	modulator of drug activity B, putative	0.002	0.0007	0.0024
Loa Loa (eye worm)	hypothetical protein	0.01	0.0121	0.0121
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0019	0.0005	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0078	0.009	0.0809
Loa Loa (eye worm)	angiotensin-converting enzyme family protein	0.036	0.049	0.049
Plasmodium vivax	importin-beta 2, putative	0.0029	0.002	0.0022
Plasmodium falciparum	cysteine repeat modular protein 1	0.1251	0.1755	0.2382
Plasmodium falciparum	importin beta, putative	0.0029	0.002	0.0022
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0018	0.0004	0.0002
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0018	0.0004	0.0002
Entamoeba histolytica	iron-sulfur flavoprotein, putative	0.002	0.0007	0.094
Trichomonas vaginalis	conserved hypothetical protein	0.0078	0.009	0.0809
Schistosoma mansoni	multidrug resistance protein	0.0034	0.0027	0.0024
Mycobacterium tuberculosis	Hypothetical protein	0.0765	0.1065	0.106
Giardia lamblia	Pyruvate kinase	0.0033	0.0026	0.262
Plasmodium vivax	SET domain protein, putative	0.0031	0.0022	0.0026
Trichomonas vaginalis	modulator of drug activity B, putative	0.002	0.0007	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0012	0.0012
Trichomonas vaginalis	modulator of drug activity B, putative	0.002	0.0007	0.0024
Loa Loa (eye worm)	pyruvate kinase	0.0033	0.0026	0.0026
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0032	0.0024	0.0021
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0043	0.0043
Onchocerca volvulus		0.0459	0.063	0.2726
Schistosoma mansoni	cercarial elastase (S01 family)	0.0199	0.0262	0.0259
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0018	0.0004	0.0002
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0199	0.0262	0.0259
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0007	0.0024
Loa Loa (eye worm)	MH1 domain-containing protein	0.0017	0.0003	0.0003
Echinococcus multilocularis	thymidylate synthase	0.1609	0.2262	0.226
Echinococcus granulosus	importin subunit beta 1	0.0029	0.002	0.0017
Brugia malayi	MH2 domain containing protein	0.0017	0.0003	0.0003
Loa Loa (eye worm)	Smad1	0.0017	0.0003	0.0003
Brugia malayi	Trypsin family protein	0.0199	0.0262	0.0262
Schistosoma mansoni	hypothetical protein	0.0032	0.0024	0.0021
Trichomonas vaginalis	set domain proteins, putative	0.0242	0.0323	0.3
Chlamydia trachomatis	dihydrofolate reductase	0.7061	1	1
Onchocerca volvulus		0.0031	0.0022	0.0019
Echinococcus granulosus	pyruvate kinase	0.0033	0.0026	0.0023
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.5201	0.736	1
Schistosoma mansoni	hypothetical protein	0.0069	0.0076	0.0074
Echinococcus multilocularis	Mastin	0.0199	0.0262	0.0259
Brugia malayi	thymidylate synthase	0.1609	0.2262	0.2262
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0021	0.0009	0.0009
Trichomonas vaginalis	conserved hypothetical protein	0.0078	0.009	0.0809
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0007	0.0024
Trichomonas vaginalis	modulator of drug activity B, putative	0.002	0.0007	0.0024
Schistosoma mansoni	hypothetical protein	0.0199	0.0262	0.0259
Entamoeba histolytica	modulator of drug activity B homolog, putative	0.002	0.0007	0.094
Trichomonas vaginalis	conserved hypothetical protein	0.0765	0.1065	1
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.1609	0.2262	0.2258
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0018	0.0004	0.0002
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.002	0.0021
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0019	0.0005	0.0002
Trichomonas vaginalis	modulator of drug activity B, putative	0.002	0.0007	0.0024
Echinococcus granulosus	GPCR family 2	0.0032	0.0024	0.0021
Entamoeba histolytica	hypothetical protein	0.0037	0.0031	1
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0024	0.0014	0.0013
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0012	0.0072
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0005	0.0003
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0031	0.0022	0.0026
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0007	0.0024
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0032	0.0024	0.0024
Entamoeba histolytica	hypothetical protein	0.0037	0.0031	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.0031	0.0028
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0005	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0199	0.0262	0.0262
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0019	0.0005	0.0002
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.7061	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0043	0.0041
Echinococcus multilocularis	pyruvate kinase	0.0033	0.0026	0.0023
Schistosoma mansoni	ran	0.0021	0.0009	0.0006
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0021	0.0009	0.0006
Trichomonas vaginalis	pyruvate kinase, putative	0.0033	0.0026	0.0204
Trichomonas vaginalis	modulator of drug activity B, putative	0.002	0.0007	0.0024
Toxoplasma gondii	HEAT repeat-containing protein	0.0029	0.002	0.0022
Schistosoma mansoni	lamin	0.0028	0.0018	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0459	0.063	0.063
Echinococcus granulosus	Mastin	0.0199	0.0262	0.0259
Brugia malayi	Pre-SET motif family protein	0.0031	0.0022	0.0022
Brugia malayi	MH2 domain containing protein	0.0017	0.0003	0.0003
Brugia malayi	Smad1	0.0017	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0199	0.0262	0.0262
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0199	0.0262	0.0259
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.5201	0.736	1
Brugia malayi	Trypsin family protein	0.0459	0.063	0.063
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0012	0.0072
Loa Loa (eye worm)	pyruvate kinase-PB	0.0023	0.0012	0.0012
Leishmania major	GTP-binding protein, putative	0.0021	0.0009	0.0006
Echinococcus granulosus	glycoprotein Antigen 5	0.0199	0.0262	0.0259
Trichomonas vaginalis	conserved hypothetical protein	0.0078	0.009	0.0809
Loa Loa (eye worm)	transcription factor SMAD2	0.0245	0.0327	0.0327
Toxoplasma gondii	pyruvate kinase PyK1	0.0033	0.0026	0.0031
Schistosoma mansoni	hypothetical protein	0.0304	0.0411	0.0409
Trichomonas vaginalis	modulator of drug activity B, putative	0.002	0.0007	0.0024
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0031	0.0022	0.002
Onchocerca volvulus		0.0199	0.0262	0.1085
Trichomonas vaginalis	conserved hypothetical protein	0.0059	0.0062	0.0547
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0024	0.0024
Echinococcus multilocularis	glycoprotein Antigen 5	0.0199	0.0262	0.0259
Trichomonas vaginalis	conserved hypothetical protein	0.0078	0.009	0.0809
Brugia malayi	hypothetical protein	0.0199	0.0262	0.0262
Leishmania major	phosphatidylinositol kinase related protein, putative	0.0018	0.0004	0.0000066329
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0021	0.0009	0.0006
Echinococcus granulosus	lamin dm0	0.0028	0.0018	0.0015
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.01	0.0121	0.0121
Trichomonas vaginalis	ran, putative	0.0021	0.0009	0.0043
Trichomonas vaginalis	modulator of drug activity B, putative	0.002	0.0007	0.0024
Brugia malayi	Trypsin family protein	0.0199	0.0262	0.0262
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.01	0.0121	0.0121
Brugia malayi	Trypsin family protein	0.0199	0.0262	0.0262
Entamoeba histolytica	hypothetical protein	0.0037	0.0031	1
Trypanosoma brucei	MATE efflux family protein, putative	0.0034	0.0027	0.003
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0014	0.0089
Loa Loa (eye worm)	TK/ROR protein kinase	0.1251	0.1755	0.1755
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.5201	0.736	1
Leishmania major	hypothetical protein, conserved	0.0034	0.0027	0.003
Schistosoma mansoni	cercarial elastase (S01 family)	0.0199	0.0262	0.0259
Plasmodium falciparum	pyruvate kinase	0.0033	0.0026	0.0031
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.1609	0.2262	0.2242
Trypanosoma brucei	membrane transporter protein, putative	0.0034	0.0027	0.003
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0022	0.002
Echinococcus multilocularis	snurportin 1	0.0304	0.0411	0.0409
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0026	0.0026
Echinococcus granulosus	enteropeptidase	0.0199	0.0262	0.0259
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0022	0.0022
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.7061	1	1
Onchocerca volvulus	Pyruvate kinase homolog	0.0033	0.0026	0.0034
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0043	0.0041
Onchocerca volvulus	Pyruvate kinase homolog	0.0033	0.0026	0.0034
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.002	0.0007	0.0024
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.5201	0.736	1
Trichomonas vaginalis	modulator of drug activity B, putative	0.002	0.0007	0.0024
Trypanosoma brucei	pyruvate kinase 1, putative	0.0033	0.0026	0.0029
Mycobacterium ulcerans	pyruvate kinase	0.0033	0.0026	0.002
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0021	0.0009	0.0006
Trypanosoma brucei	membrane transporter protein, putative	0.0034	0.0027	0.003
Mycobacterium tuberculosis	Probable pyruvate kinase PykA	0.0033	0.0026	0.002
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0.0005	0.5
Loa Loa (eye worm)	dihydrofolate reductase	0.7061	1	1
Schistosoma mansoni	pyruvate kinase	0.0033	0.0026	0.0023
Giardia lamblia	NADPH oxidoreductase, putative	0.0078	0.009	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0199	0.0262	0.0259
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0033	0.0026	0.0029
Brugia malayi	MH1 domain containing protein	0.0017	0.0003	0.0003
Trypanosoma cruzi	hypothetical protein, conserved	0.0034	0.0027	0.003
Brugia malayi	Trypsin-like protease protein 5	0.0199	0.0262	0.0262
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0021	0.0009	0.0006
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0005	0.0011
Schistosoma mansoni	hypothetical protein	0.0199	0.0262	0.0259
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0005	0.0003
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0031	0.0022	0.002
Mycobacterium ulcerans	hypothetical protein	0.0199	0.0262	0.0256
Schistosoma mansoni	importin beta-1	0.0029	0.002	0.0017
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.1251	0.1755	0.2382
Leishmania major	hypothetical protein, conserved	0.1251	0.1755	0.238
Trichomonas vaginalis	conserved hypothetical protein	0.0078	0.009	0.0809
Trichomonas vaginalis	conserved hypothetical protein	0.0078	0.009	0.0809
Trichomonas vaginalis	conserved hypothetical protein	0.0078	0.009	0.0809
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0005	0.0005
Loa Loa (eye worm)	hypothetical protein	0.1251	0.1755	0.1755
Trichomonas vaginalis	modulator of drug activity B, putative	0.002	0.0007	0.0024
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0199	0.0262	0.0259
Leishmania major	importin beta-1 subunit, putative	0.0023	0.0012	0.001
Echinococcus granulosus	transmembrane protease serine 3	0.0199	0.0262	0.0259
Schistosoma mansoni	cercarial elastase (S01 family)	0.0199	0.0262	0.0259
Trichomonas vaginalis	conserved hypothetical protein	0.0078	0.009	0.0809
Schistosoma mansoni	ran	0.0021	0.0009	0.0006
Echinococcus granulosus	multidrug and toxin extrusion protein 2	0.0034	0.0027	0.0024
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0007	0.0024
Echinococcus multilocularis	lamin dm0	0.0028	0.0018	0.0015
Onchocerca volvulus		0.0199	0.0262	0.1085
Schistosoma mansoni	cercarial elastase (S01 family)	0.0199	0.0262	0.0259
Trichomonas vaginalis	modulator of drug activity B, putative	0.002	0.0007	0.0024
Schistosoma mansoni	cercarial elastase (S01 family)	0.0199	0.0262	0.0259
Brugia malayi	MH1 domain containing protein	0.0017	0.0003	0.0003
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0078	0.009	0.0809
Onchocerca volvulus		0.1251	0.1755	0.774
Echinococcus multilocularis	pyruvate kinase	0.0033	0.0026	0.0023
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0024	0.0014	0.0013
Brugia malayi	Pyruvate kinase, muscle isozyme	0.0033	0.0026	0.0026
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0022	0.002
Entamoeba histolytica	pyruvate kinase, putative	0.0023	0.0012	0.2765
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0007	0.0024
Brugia malayi	Kringle domain containing protein	0.1251	0.1755	0.1755
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0033	0.0026	0.0029
Brugia malayi	Calcitonin receptor-like protein seb-1	0.01	0.0121	0.0121
Entamoeba histolytica	hypothetical protein	0.002	0.0007	0.094
Echinococcus multilocularis	musashi	0.0028	0.0018	0.0015
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0043	0.0041
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0078	0.009	0.0809
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0021	0.0009	0.0009
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0007	0.0024
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.0199	0.0262	0.0259
Leishmania major	pyruvate kinase	0.0033	0.0026	0.0029
Brugia malayi	Intermediate filament tail domain containing protein	0.0028	0.0018	0.0018
Trichomonas vaginalis	modulator of drug activity B, putative	0.002	0.0007	0.0024
Mycobacterium ulcerans	thymidylate synthase	0.1609	0.2262	0.2258
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0018	0.0018
Trichomonas vaginalis	modulator of drug activity B, putative	0.002	0.0007	0.0024
Brugia malayi	Dihydrofolate reductase	0.7061	1	1
Echinococcus multilocularis	GPCR, family 2	0.0032	0.0024	0.0021
Echinococcus granulosus	lamin	0.0028	0.0018	0.0015
Trichomonas vaginalis	conserved hypothetical protein	0.0078	0.009	0.0809
Loa Loa (eye worm)	pyruvate kinase	0.0033	0.0026	0.0026
Echinococcus granulosus	thymidylate synthase	0.1609	0.2262	0.226
Trichomonas vaginalis	modulator of drug activity B, putative	0.002	0.0007	0.0024
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0078	0.009	0.0809
Trypanosoma cruzi	hypothetical protein, conserved	0.1251	0.1755	0.238
Trichomonas vaginalis	conserved hypothetical protein	0.0078	0.009	0.0809
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.0199	0.0262	0.0259
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0021	0.0009	0.0008
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0019	0.0005	0.0444
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0029	0.0021	0.0018
Brugia malayi	Latrophilin receptor protein 2	0.0032	0.0024	0.0024
Brugia malayi	latrophilin 2 splice variant baaae	0.0069	0.0076	0.0076
Trichomonas vaginalis	pyruvate kinase, putative	0.0033	0.0026	0.0204
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.5201	0.736	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0199	0.0262	0.0259
Loa Loa (eye worm)	intermediate filament protein	0.0028	0.0018	0.0018
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0043	0.0041
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.0199	0.0262	0.0262
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0021	0.0009	0.0006
Echinococcus multilocularis	multidrug and toxin extrusion protein 2	0.0034	0.0027	0.0024
Schistosoma mansoni	hypothetical protein	0.0032	0.0024	0.0021
Onchocerca volvulus		0.1609	0.2262	1
Echinococcus multilocularis	dihydrofolate reductase	0.7061	1	1
Brugia malayi	MH2 domain containing protein	0.0245	0.0327	0.0327
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0023	0.0012	0.001
Trypanosoma brucei	membrane transporter protein, putative	0.0034	0.0027	0.003
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0021	0.0009	0.0008
Brugia malayi	Angiotensin-converting enzyme family protein	0.036	0.049	0.049
Entamoeba histolytica	hypothetical protein	0.0037	0.0031	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0032	0.0024	0.0024
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0005	0.0005
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.0031	0.0028
Schistosoma mansoni	ap endonuclease	0.0019	0.0005	0.0003
Echinococcus multilocularis	lamin	0.0028	0.0018	0.0015
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0199	0.0262	0.0259
Schistosoma mansoni	cercarial elastase (S01 family)	0.0199	0.0262	0.0259
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.7061	1	1
Plasmodium vivax	pyruvate kinase, putative	0.0033	0.0026	0.0031
Schistosoma mansoni	hypothetical protein	0.0032	0.0024	0.0021
Brugia malayi	Pre-SET motif family protein	0.0213	0.0281	0.0281
Brugia malayi	Protein kinase domain containing protein	0.1251	0.1755	0.1755
Trichomonas vaginalis	importin beta-1, putative	0.0023	0.0012	0.0072
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0018	0.0004	0.0002
Trypanosoma cruzi	hypothetical protein, conserved	0.0034	0.0027	0.003
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0005	0.0002
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0032	0.0024	0.0021
Toxoplasma gondii	FATC domain-containing protein	0.0024	0.0014	0.0014
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0005	0.0011
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0459	0.063	0.0627
Trichomonas vaginalis	conserved hypothetical protein	0.0078	0.009	0.0809
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0018	0.0004	0.0004
Echinococcus multilocularis	Multi antimicrobial extrusion protein MatE	0.0031	0.0022	0.002
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0304	0.0411	0.0411
Trichomonas vaginalis	modulator of drug activity B, putative	0.002	0.0007	0.0024
Echinococcus granulosus	snurportin 1	0.0304	0.0411	0.0409
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0021	0.0009	0.0006
Giardia lamblia	NADPH oxidoreductase, putative	0.0078	0.009	1
Echinococcus granulosus	tissue type plasminogen activator	0.1251	0.1755	0.1753
Loa Loa (eye worm)	MH2 domain-containing protein	0.0017	0.0003	0.0003
Trichomonas vaginalis	modulator of drug activity B, putative	0.002	0.0007	0.0024
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0024	0.0014	0.0014
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0459	0.063	0.0627
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0199	0.0262	0.0259
Loa Loa (eye worm)	hypothetical protein	0.0199	0.0262	0.0262
Echinococcus granulosus	serine protein kinase ATM	0.0024	0.0014	0.0011
Entamoeba histolytica	hypothetical protein	0.0024	0.0014	0.3491
Schistosoma mansoni	cercarial elastase (S01 family)	0.0199	0.0262	0.0259
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.002	0.0021
Echinococcus multilocularis	transmembrane protease serine 3	0.0199	0.0262	0.0259
Trichomonas vaginalis	modulator of drug activity B, putative	0.002	0.0007	0.0024
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0032	0.0024	0.0021
Schistosoma mansoni	dihydrofolate reductase	0.7061	1	1
Schistosoma mansoni	hypothetical protein	0.1251	0.1755	0.1753
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0031	0.0022	0.002
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0007	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0199	0.0262	0.0262
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0043	0.0041
Echinococcus granulosus	intermediate filament protein	0.0028	0.0018	0.0015
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0765	0.1065	0.1442
Leishmania major	pyruvate kinase	0.0033	0.0026	0.0029
Schistosoma mansoni	lamin	0.0028	0.0018	0.0015
Schistosoma mansoni	ap endonuclease	0.0019	0.0005	0.0003
Schistosoma mansoni	cercarial elastase (S01 family)	0.0199	0.0262	0.0259
Onchocerca volvulus		0.0199	0.0262	0.1085
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.0031	0.0028
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0199	0.0262	0.0259
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0043	0.0041
Onchocerca volvulus	Pyruvate kinase homolog	0.0033	0.0026	0.0034
Trypanosoma cruzi	hypothetical protein, conserved	0.0034	0.0027	0.003
Trichomonas vaginalis	modulator of drug activity B, putative	0.002	0.0007	0.0024
Schistosoma mansoni	cercarial elastase (S01 family)	0.0199	0.0262	0.0259
Echinococcus multilocularis	pyruvate kinase	0.0026	0.0016	0.0013
Trypanosoma cruzi	membrane transporter protein, putative	0.0034	0.0027	0.003
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0009	0.0009

Activities

Activity type	Activity value	Assay description	Source	Reference
CC50 (functional)	= 0.0000417 M	In vitro concentration of compound required to reduced spleen cell viability to 50% in BALB/c mice	ChEMBL.	15999998
IC50 (functional)	= 0.0000000178 M	In vitro concentration of compound required to inhibit LPS-induced B cell proliferation to 50% in BALB/c mice	ChEMBL.	15999998
IC50 (functional)	= 0.000000138 M	In vitro concentration of compound required to inhibit ConA-induced T cell proliferation to 50% in BALB/c mice	ChEMBL.	15999998
Selectivity index (functional)	= 302	Ratio of concentration that reduced cell viability to inhibitory concentration for ConA-induced T cell proliferation	ChEMBL.	15999998
Selectivity index (functional)	= 2343	Ratio of concentration that reduced cell viability to inhibitory concentration for LPS-induced B cell proliferation	ChEMBL.	15999998

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: 418066

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 331698