TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 595.519 | Formula: C30H32Cl2N6O3
H donors: 1 H acceptors: 4 LogP: 4.41 Rotable bonds: 10
Rule of 5 violations (Lipinski): 2
SMILES: CCCC(=O)c1cnn(c1C)c1ccc(cc1)NC(=O)c1cn(c2c1cc(Cl)c(c2)Cl)CC(=O)N1CCN(CC1)C
InChi: 1S/C30H32Cl2N6O3/c1-4-5-28(39)23-16-33-38(19(23)2)21-8-6-20(7-9-21)34-30(41)24-17-37(27-15-26(32)25(31)14-22(24)27)18-29(40)36-12-10-35(3)11-13-36/h6-9,14-17H,4-5,10-13,18H2,1-3H3,(H,34,41)
InChiKey: MHDNDYQETKJDDA-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Purinergic receptor P2Y12	Starlite/ChEMBL	References
Homo sapiens	purinergic receptor P2Y, G-protein coupled, 12	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

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Onchocerca volvulus	Mitochondrial inner membrane protein homolog	Purinergic receptor P2Y12	343 aa	372 aa	19.6 %
Schistosoma japonicum	ko:K04134 cholinergic receptor, invertebrate, putative	Purinergic receptor P2Y12	343 aa	334 aa	21.6 %
Echinococcus granulosus	neuropeptide receptor	Purinergic receptor P2Y12	343 aa	349 aa	22.6 %
Echinococcus multilocularis	neuropeptide receptor	Purinergic receptor P2Y12	343 aa	325 aa	23.7 %
Echinococcus granulosus	allatostatin A receptor	Purinergic receptor P2Y12	343 aa	337 aa	21.4 %
Echinococcus multilocularis	allatostatin A receptor	Purinergic receptor P2Y12	343 aa	337 aa	21.4 %
Onchocerca volvulus		Purinergic receptor P2Y12	343 aa	281 aa	22.8 %
Schistosoma japonicum	ko:K04209 neuropeptide Y receptor, invertebrate, putative	Purinergic receptor P2Y12	343 aa	328 aa	23.5 %
Schistosoma mansoni	peptide (allatostatin)-like receptor	Purinergic receptor P2Y12	343 aa	359 aa	20.9 %
Schistosoma japonicum	Myosin-XVIIIa, putative	Purinergic receptor P2Y12	343 aa	325 aa	22.8 %
Onchocerca volvulus		Purinergic receptor P2Y12	343 aa	323 aa	22.3 %
Echinococcus multilocularis	rhodopsin orphan GPCR	Purinergic receptor P2Y12	343 aa	347 aa	20.2 %
Schistosoma mansoni	neuropeptide receptor	Purinergic receptor P2Y12	343 aa	305 aa	24.9 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0017	0.0138	0.0136
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0411	1	1
Trypanosoma brucei	monoglyceride lipase, putative	0.0281	0.6756	1
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0092	0.2013	0.1988
Echinococcus multilocularis	glutamyl tRNA(Gln) amidotransferase subunit A	0.005	0.0963	0.0935
Mycobacterium ulcerans	amidase	0.005	0.0963	0.1247
Schistosoma mansoni	regulator of G protein signaling	0.0019	0.0208	0.0177
Entamoeba histolytica	DNA repair and recombination protein RAD52, putative	0.0323	0.7818	1
Toxoplasma gondii	isocitrate dehydrogenase	0.0017	0.0141	1
Mycobacterium ulcerans	hypothetical protein	0.0281	0.6756	1
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0017	0.0141	0.0209
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0.0208	0.0239
Mycobacterium tuberculosis	Probable amidase AmiC (aminohydrolase)	0.005	0.0963	0.1247
Loa Loa (eye worm)	MH2 domain-containing protein	0.0126	0.2881	0.2859
Trichomonas vaginalis	regulator of G protein signaling 5, rgs5, putative	0.0019	0.0208	0.0239
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0.0208	0.0239
Schistosoma mansoni	family S9 unassigned peptidase (S09 family)	0.0017	0.0138	0.0107
Trichomonas vaginalis	Clan SC, family S9, unassigned serine peptidase	0.0017	0.0138	0.0136
Brugia malayi	Isocitrate dehydrogenase	0.0017	0.0141	0.0111
Plasmodium falciparum	alpha/beta hydrolase, putative	0.0017	0.0138	0.0204
Trichomonas vaginalis	conserved hypothetical protein	0.0281	0.6756	1
Mycobacterium ulcerans	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.005	0.0963	0.1247
Schistosoma mansoni	family S9 unassigned peptidase (S09 family)	0.0017	0.0138	0.0107
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0017	0.0141	0.0111
Echinococcus granulosus	glutamyl tRNAGln amidotransferase subunit A	0.005	0.0963	0.0935
Plasmodium falciparum	BEM46-like protein, putative	0.0017	0.0138	0.0204
Brugia malayi	MGC79044 protein	0.0017	0.0138	0.0107
Echinococcus multilocularis	monoacylglycerol lipase abhd12	0.0017	0.0138	0.0107
Plasmodium falciparum	alpha/beta-hydrolase, putative	0.0017	0.0138	0.0204
Echinococcus granulosus	global transcription activator snf2l2	0.0071	0.15	0.1473
Brugia malayi	MGC83647 protein	0.0017	0.0138	0.0107
Plasmodium vivax	alpha/beta hydrolase, putative	0.0017	0.0138	0.0204
Onchocerca volvulus		0.0141	0.3242	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0208	0.0177
Trichomonas vaginalis	conserved hypothetical protein	0.0017	0.0138	0.0136
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0281	0.6756	1
Trichomonas vaginalis	conserved hypothetical protein	0.0017	0.0138	0.0136
Plasmodium falciparum	lysophospholipase, putative	0.0281	0.6756	1
Entamoeba histolytica	hypothetical protein	0.0019	0.0208	0.0091
Mycobacterium tuberculosis	Probable amidase AmiD (acylamidase) (acylase)	0.005	0.0963	0.1247
Mycobacterium ulcerans	lysophospholipase	0.0281	0.6756	1
Trichomonas vaginalis	Clan SC, family S9, unassigned serine peptidase	0.0017	0.0138	0.0136
Toxoplasma gondii	hypothetical protein	0.0017	0.0138	0.9763
Brugia malayi	PXA domain containing protein	0.0019	0.0208	0.0177
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0019	0.0208	0.0177
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0281	0.6756	1
Toxoplasma gondii	SWI2/SNF2 Brahma-like putative	0.0013	0.0047	0.3323
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0017	0.0138	0.0136
Chlamydia trachomatis	glutamyl-tRNA(Gln) amidotransferase subunit A	0.005	0.0963	1
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0019	0.0208	0.0177
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0017	0.0141	0.0111
Entamoeba histolytica	hypothetical protein	0.0019	0.0208	0.0091
Trichomonas vaginalis	conserved hypothetical protein	0.0017	0.0138	0.0136
Plasmodium falciparum	exported lipase 1	0.0017	0.0138	0.0204
Loa Loa (eye worm)	AGC/GRK/BARK protein kinase	0.0019	0.0208	0.0177
Plasmodium vivax	PST-A protein	0.0281	0.6756	1
Echinococcus multilocularis	abhydrolase domain containing 3	0.0017	0.0138	0.0107
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0138	0.0107
Plasmodium vivax	PST-A protein	0.0017	0.0138	0.0204
Plasmodium falciparum	lysophospholipase, putative	0.0017	0.0138	0.0204
Echinococcus multilocularis	regulator of G protein signaling	0.0019	0.0208	0.0177
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0208	0.0177
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0.0208	0.0239
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0.0208	0.0239
Loa Loa (eye worm)	BRM protein	0.0037	0.0642	0.0613
Plasmodium vivax	lysophospholipase, putative	0.0017	0.0138	0.0204
Trichomonas vaginalis	Clan SC, family S9, unassigned serine peptidase	0.0017	0.0138	0.0136
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0281	0.6756	1
Schistosoma mansoni	regulator of G protein signaling	0.0019	0.0208	0.0177
Trichomonas vaginalis	conserved hypothetical protein	0.0017	0.0138	0.0136
Schistosoma mansoni	amidase	0.0411	1	1
Brugia malayi	Amidase family protein	0.005	0.0963	0.0935
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0138	0.0107
Trypanosoma brucei	monoglyceride lipase, putative	0.0281	0.6756	1
Schistosoma mansoni	helicase	0.0071	0.15	0.1473
Plasmodium falciparum	lysophospholipase, putative	0.0281	0.6756	1
Mycobacterium tuberculosis	Probable amidase AmiB2 (aminohydrolase)	0.005	0.0963	0.1247
Mycobacterium leprae	POSSIBLE LYSOPHOSPHOLIPASE	0.0281	0.6756	1
Plasmodium vivax	lysophospholipase, putative	0.0017	0.0138	0.0204
Toxoplasma gondii	isocitrate dehydrogenase	0.0017	0.0141	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0126	0.2881	0.2859
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0208	0.0177
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0.0208	0.0239
Plasmodium falciparum	alpha/beta hydrolase, putative	0.0017	0.0138	0.0204
Trichomonas vaginalis	valacyclovir hydrolase, putative	0.0281	0.6756	1
Trypanosoma cruzi	amidase, putative	0.005	0.0963	0.1247
Plasmodium vivax	hypothetical protein, conserved	0.0017	0.0138	0.0204
Echinococcus granulosus	regulator of G protein signaling 3	0.0019	0.0208	0.0177
Toxoplasma gondii	esterase/lipase/thioesterase domain-containing protein	0.0017	0.0138	0.9763
Mycobacterium ulcerans	amidase	0.005	0.0963	0.1247
Echinococcus multilocularis	expressed protein	0.0377	0.9151	0.9149
Plasmodium vivax	hypothetical protein, conserved	0.0017	0.0138	0.0204
Brugia malayi	hypothetical protein	0.0019	0.0208	0.0177
Echinococcus granulosus	fatty acid amide hydrolase 1	0.005	0.0963	0.0935
Mycobacterium ulcerans	amidase	0.005	0.0963	0.1247
Schistosoma mansoni	fatty-acid amide hydrolase	0.0411	1	1
Treponema pallidum	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.005	0.0963	0.5
Trypanosoma brucei	fatty-acid amide hydrolase, putative	0.005	0.0963	0.1247
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0019	0.0208	0.0177
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0138	0.0107
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0208	0.0177
Echinococcus multilocularis	Phospholipase carboxylesterase	0.0017	0.0138	0.0107
Plasmodium falciparum	lysophospholipase, putative	0.0281	0.6756	1
Schistosoma mansoni	tyrosinase precursor	0.0092	0.2013	0.1988
Plasmodium vivax	PST-A protein	0.0017	0.0138	0.0204
Mycobacterium ulcerans	amidase	0.005	0.0963	0.1247
Plasmodium falciparum	esterase, putative	0.0281	0.6756	1
Plasmodium vivax	PST-A protein	0.0017	0.0138	0.0204
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0208	0.0177
Mycobacterium tuberculosis	Possible amidase (aminohydrolase)	0.005	0.0963	0.1247
Loa Loa (eye worm)	tyrosinase 1	0.0092	0.2013	0.1988
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0208	0.0177
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0017	0.0141	0.0005
Plasmodium falciparum	glutamyl-tRNA(Gln) amidotransferase subunit A	0.005	0.0963	0.1426
Trichomonas vaginalis	conserved hypothetical protein	0.0017	0.0138	0.0136
Loa Loa (eye worm)	hypothetical protein	0.0092	0.2013	0.1988
Schistosoma mansoni	axis inhibition protein axin	0.0019	0.0208	0.0177
Loa Loa (eye worm)	hypothetical protein	0.0411	1	1
Schistosoma mansoni	regulator of G protein signaling	0.0019	0.0208	0.0177
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0017	0.0141	0.0005
Trichomonas vaginalis	conserved hypothetical protein	0.0017	0.0138	0.0136
Plasmodium falciparum	lysophospholipase, putative	0.0017	0.0138	0.0204
Echinococcus granulosus	expressed protein	0.0377	0.9151	0.9149
Leishmania major	monoglyceride lipase, putative	0.0281	0.6756	1
Plasmodium vivax	PST-A protein	0.0017	0.0138	0.0204
Trypanosoma cruzi	monoglyceride lipase, putative	0.0281	0.6756	1
Toxoplasma gondii	hydrolase, alpha/beta fold family protein	0.0017	0.0138	0.9763
Plasmodium vivax	unspecified product	0.0017	0.0138	0.0204
Echinococcus granulosus	regulator of G protein signaling 7	0.0019	0.0208	0.0177
Loa Loa (eye worm)	hypothetical protein	0.0092	0.2013	0.1988
Mycobacterium tuberculosis	Probable amidase AmiA2 (aminohydrolase)	0.005	0.0963	0.1247
Mycobacterium ulcerans	amidase	0.005	0.0963	0.1247
Plasmodium falciparum	exported lipase 2	0.0017	0.0138	0.0204
Schistosoma mansoni	peptidase	0.0017	0.0138	0.0107
Schistosoma mansoni	regulator of G protein signaling	0.0019	0.0208	0.0177
Echinococcus granulosus	axis inhibition protein axin	0.0019	0.0208	0.0177
Mycobacterium tuberculosis	Possible lysophospholipase	0.0281	0.6756	1
Schistosoma mansoni	regulator of G protein signaling	0.0019	0.0208	0.0177
Trichomonas vaginalis	Clan SC, family S9, unassigned serine peptidase	0.0017	0.0138	0.0136
Brugia malayi	PXA domain containing protein	0.0019	0.0208	0.0177
Plasmodium vivax	alpha/beta hydrolase, putative	0.0017	0.0138	0.0204
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0017	0.0141	0.0111
Plasmodium falciparum	alpha/beta hydrolase, putative	0.0017	0.0138	0.0204
Echinococcus granulosus	beta-adrenergic receptor kinase	0.0019	0.0208	0.0177
Toxoplasma gondii	hydrolase, alpha/beta fold family protein	0.0017	0.0138	0.9763
Plasmodium falciparum	epoxide hydrolase 2	0.0017	0.0138	0.0204
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0092	0.2013	0.1988
Trypanosoma cruzi	amidase, putative	0.005	0.0963	0.1247
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0017	0.0141	0.0005
Echinococcus granulosus	axis inhibition protein axin	0.0019	0.0208	0.0177
Toxoplasma gondii	peptidase S15, putative	0.0017	0.0138	0.9763
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0.0208	0.0239
Loa Loa (eye worm)	ShTK domain-containing protein	0.0092	0.2013	0.1988
Toxoplasma gondii	hypothetical protein	0.0017	0.0138	0.9763
Brugia malayi	A-kinase anchor protein 10, precursor	0.0019	0.0208	0.0177
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0017	0.0138	0.0136
Loa Loa (eye worm)	RGS-3 protein	0.0019	0.0208	0.0177
Brugia malayi	BRM protein	0.0071	0.15	0.1473
Leishmania major	hypothetical protein, conserved	0.005	0.0963	0.1247
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0017	0.0141	0.0111
Schistosoma mansoni	regulator of G protein signaling 3 rgs3	0.0019	0.0208	0.0177
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0017	0.0141	0.0209
Entamoeba histolytica	hydrolase, alpha/beta fold family domain containing protein	0.0281	0.6756	0.8617
Loa Loa (eye worm)	AGC/GRK/GRK protein kinase	0.0019	0.0208	0.0177
Trichomonas vaginalis	conserved hypothetical protein	0.0281	0.6756	1
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.005	0.0963	0.0935
Echinococcus multilocularis	A kinase anchor protein 10, mitochondrial	0.0019	0.0208	0.0177
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0017	0.0141	0.0111
Brugia malayi	Amidase family protein	0.005	0.0963	0.0935
Plasmodium falciparum	esterase, putative	0.0017	0.0138	0.0204
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0017	0.0141	0.0111
Brugia malayi	putative amidase	0.005	0.0963	0.0935
Echinococcus multilocularis	axis inhibition protein axin	0.0019	0.0208	0.0177
Brugia malayi	hypothetical protein	0.0019	0.0208	0.0177
Echinococcus multilocularis	axis inhibition protein axin	0.0019	0.0208	0.0177
Loa Loa (eye worm)	BRM protein	0.0045	0.0858	0.0829
Echinococcus granulosus	regulator of G protein signaling 7	0.0019	0.0208	0.0177
Brugia malayi	ShTK domain containing protein	0.0092	0.2013	0.1988
Entamoeba histolytica	hypothetical protein	0.0092	0.2026	0.2459
Wolbachia endosymbiont of Brugia malayi	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.005	0.0963	0.5
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0092	0.2013	0.1988
Echinococcus granulosus	abhydrolase domain containing 3	0.0017	0.0138	0.0107
Plasmodium vivax	PST-A protein	0.0017	0.0138	0.0204
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0281	0.6756	1
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0281	0.6756	1
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0017	0.0138	0.0136
Loa Loa (eye worm)	ShTK domain-containing protein	0.0092	0.2013	0.1988
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0017	0.0141	0.0005
Echinococcus multilocularis	beta adrenergic receptor kinase	0.0019	0.0208	0.0177
Plasmodium falciparum	esterase, putative	0.0017	0.0138	0.0204
Brugia malayi	regulator of G-protein signaling egl-10	0.0019	0.0208	0.0177
Echinococcus multilocularis	regulator of G protein signaling 3	0.0019	0.0208	0.0177
Echinococcus granulosus	Regulator of G protein signaling 20	0.0019	0.0208	0.0177
Mycobacterium ulcerans	peptide amidase, GatA	0.005	0.0963	0.1247
Entamoeba histolytica	hydrolase, alpha/beta fold family domain containing protein	0.0281	0.6756	0.8617
Plasmodium vivax	hypothetical protein, conserved	0.0017	0.0138	0.0204
Echinococcus multilocularis	global transcription activator snf2l2	0.0071	0.15	0.1473
Echinococcus multilocularis	regulator of G protein signaling 7	0.0019	0.0208	0.0177
Toxoplasma gondii	phospholipase/carboxylesterase	0.0017	0.0138	0.9763
Toxoplasma gondii	protein c14orf29, putative	0.0017	0.0138	0.9763
Brugia malayi	Probable G protein-coupled receptor kinase F19C6.1, putative	0.0019	0.0208	0.0177
Brugia malayi	Regulator of G protein signaling domain containing protein	0.0019	0.0208	0.0177
Trichomonas vaginalis	conserved hypothetical protein	0.0017	0.0138	0.0136
Brugia malayi	Regulator of G protein signaling domain containing protein	0.0019	0.0208	0.0177
Toxoplasma gondii	hypothetical protein	0.0017	0.0138	0.9763
Brugia malayi	Protein C20orf22	0.0017	0.0138	0.0107
Trichomonas vaginalis	Clan SC, family S9, unassigned serine peptidase	0.0017	0.0138	0.0136
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0017	0.0141	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0138	0.0107
Entamoeba histolytica	hypothetical protein	0.0019	0.0208	0.0091
Echinococcus multilocularis	Chromo domain	0.0012	0.0031	0.0000070079
Brugia malayi	Common central domain of tyrosinase family protein	0.0092	0.2013	0.1988
Loa Loa (eye worm)	hypothetical protein	0.0141	0.3242	0.3221
Echinococcus granulosus	Chromo domain	0.0012	0.0031	0.0000070079
Schistosoma mansoni	axis inhibition protein axin	0.0019	0.0208	0.0177
Schistosoma mansoni	glutamyl-tRNA(Gln) amidotransferase subunit A	0.005	0.0963	0.0935
Echinococcus granulosus	monoacylglycerol lipase abhd12	0.0017	0.0138	0.0107
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0411	1	1
Schistosoma mansoni	hypothetical protein	0.0012	0.0031	0.0000070079
Brugia malayi	Hypothetical tyrosinase-like protein F21C3.2 in chromosome I	0.0092	0.2013	0.1988
Plasmodium falciparum	alpha/beta hydrolase, putative	0.0017	0.0138	0.0204
Echinococcus multilocularis	Regulator of G protein signaling 20	0.0019	0.0208	0.0177
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0411	1	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0138	0.0107
Echinococcus granulosus	abhydrolase domain containing protein 13	0.0017	0.0138	0.0107
Schistosoma mansoni	fatty-acid amide hydrolase	0.005	0.0963	0.0935
Schistosoma mansoni	serine/threonine protein kinase	0.0019	0.0208	0.0177
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0017	0.0141	0.0111
Brugia malayi	MH2 domain containing protein	0.0126	0.2881	0.2859
Schistosoma mansoni	tyrosinase precursor	0.0092	0.2013	0.1988
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0017	0.0141	0.0005
Toxoplasma gondii	phospholipase	0.0017	0.0138	0.9763
Schistosoma mansoni	serine/threonine protein kinase	0.0019	0.0208	0.0177
Echinococcus granulosus	A kinase anchor protein 10 mitochondrial	0.0019	0.0208	0.0177
Plasmodium falciparum	alpha/beta hydrolase fold domain containing protein, putative	0.0017	0.0138	0.0204
Loa Loa (eye worm)	amidase	0.005	0.0963	0.0935
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0411	1	1
Plasmodium vivax	glutamyl-tRNA(Gln) amidotransferase subunit A, putative	0.005	0.0963	0.1426
Loa Loa (eye worm)	amidase	0.005	0.0963	0.0935
Echinococcus multilocularis	isocitrate dehydrogenase	0.0017	0.0141	0.0111
Trichomonas vaginalis	conserved hypothetical protein	0.0017	0.0138	0.0136
Brugia malayi	hypothetical protein	0.0141	0.3242	0.3221
Entamoeba histolytica	Rad52/22 family double-strand break repair protein, putative	0.0092	0.2026	0.2459
Plasmodium vivax	lysophospholipase, putative	0.0017	0.0138	0.0204
Echinococcus granulosus	regulator of G protein signaling 3	0.0019	0.0208	0.0177
Schistosoma mansoni	serine/threonine protein kinase	0.0019	0.0208	0.0177
Trichomonas vaginalis	conserved hypothetical protein	0.0017	0.0138	0.0136
Plasmodium falciparum	alpha/beta hydrolase, putative	0.0017	0.0138	0.0204
Echinococcus granulosus	Phospholipase carboxylesterase	0.0017	0.0138	0.0107
Plasmodium vivax	unspecified product	0.0017	0.0138	0.0204
Toxoplasma gondii	hypothetical protein	0.0017	0.0138	0.9763
Plasmodium falciparum	prodrug activation and resistance esterase	0.0017	0.0138	0.0204
Loa Loa (eye worm)	PXA domain-containing protein	0.0019	0.0208	0.0177
Giardia lamblia	DNA repair protein RAD52	0.0323	0.7818	1
Brugia malayi	isocitrate dehydrogenase	0.0017	0.0141	0.0111
Echinococcus multilocularis	regulator of G protein signaling 3	0.0019	0.0208	0.0177
Brugia malayi	regulator of G-protein signaling rgs-7	0.0019	0.0208	0.0177
Schistosoma mansoni	z-protein (S1r protein)	0.0019	0.0208	0.0177
Echinococcus multilocularis	regulator of G protein signaling 7	0.0019	0.0208	0.0177

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 99 nM	Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis	ChEMBL.	25075638
IC50 (binding)	= 3.7 uM	Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation	ChEMBL.	25075638

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: CHEMBL3325797

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 925571