TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 566.693 | Formula: C33H38N6O3
H donors: 1 H acceptors: 4 LogP: 4.08 Rotable bonds: 10
Rule of 5 violations (Lipinski): 2
SMILES: CCCC(=O)c1cnn(c1C)c1ccc(cc1)NC(=O)c1cn(c2c1cc(C)cc2)CC(=O)N1CCN2C(C1)CCC2
InChi: 1S/C33H38N6O3/c1-4-6-31(40)28-18-34-39(23(28)3)25-11-9-24(10-12-25)35-33(42)29-20-38(30-13-8-22(2)17-27(29)30)21-32(41)37-16-15-36-14-5-7-26(36)19-37/h8-13,17-18,20,26H,4-7,14-16,19,21H2,1-3H3,(H,35,42)
InChiKey: CSYLHEUBOVRMNX-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
Homo sapiens	purinergic receptor P2Y, G-protein coupled, 12	Starlite/ChEMBL	References
Rattus norvegicus	Purinergic receptor P2Y12	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 %
Echinococcus multilocularis	rhodopsin orphan GPCR	Purinergic receptor P2Y12	343 aa	347 aa	20.2 %
Echinococcus multilocularis	neuropeptide receptor	Purinergic receptor P2Y12	343 aa	325 aa	23.7 %
Schistosoma japonicum	Myosin-XVIIIa, putative	Purinergic receptor P2Y12	343 aa	325 aa	22.8 %
Echinococcus granulosus	allatostatin A receptor	Purinergic receptor P2Y12	343 aa	337 aa	21.4 %
Schistosoma mansoni	peptide (allatostatin)-like receptor	Purinergic receptor P2Y12	343 aa	359 aa	20.9 %
Echinococcus granulosus	neuropeptide receptor	Purinergic receptor P2Y12	343 aa	349 aa	22.6 %
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 %
Onchocerca volvulus		Purinergic receptor P2Y12	343 aa	323 aa	22.3 %
Schistosoma mansoni	neuropeptide receptor	Purinergic receptor P2Y12	343 aa	305 aa	24.9 %
Schistosoma japonicum	ko:K04134 cholinergic receptor, invertebrate, putative	Purinergic receptor P2Y12	343 aa	334 aa	21.6 %
Echinococcus multilocularis	allatostatin A receptor	Purinergic receptor P2Y12	343 aa	337 aa	21.4 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Plasmodium vivax	alpha/beta hydrolase, putative	0.0015	0.0037	0.0037
Mycobacterium ulcerans	hypothetical protein	0.0257	0.1402	0.3173
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0031	0.0031
Onchocerca volvulus		0.0032	0.0132	1
Plasmodium falciparum	lysophospholipase, putative	0.0257	0.1402	0.1402
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0033	0.0136	0.0099
Schistosoma mansoni	peptidase	0.0015	0.0037	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0132	0.0132
Mycobacterium ulcerans	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.0044	0.0202	0.0384
Trypanosoma cruzi	hydrolase, alpha/beta fold family, putative	0.0015	0.0037	0.0037
Plasmodium vivax	hypothetical protein, conserved	0.0015	0.0037	0.0037
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0014	0.0031	0.0031
Plasmodium vivax	lysophospholipase, putative	0.0015	0.0037	0.0037
Brugia malayi	Latrophilin receptor protein 2	0.0014	0.0031	0.0031
Trichomonas vaginalis	valacyclovir hydrolase, putative	0.0257	0.1402	0.1402
Trypanosoma cruzi	Alpha/beta hydrolase family, putative	0.0015	0.0037	0.0037
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0033	0.0136	0.0099
Loa Loa (eye worm)	hypothetical protein	0.003	0.0123	0.0123
Trichomonas vaginalis	protein-S isoprenylcysteine O-methyltransferase, putative	0.1781	1	1
Toxoplasma gondii	hypothetical protein	0.0015	0.0037	0.0037
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0014	0.0031	0.0031
Mycobacterium tuberculosis	Probable lipase LipE	0.0032	0.0132	0.0221
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0368	0.203	0.203
Mycobacterium ulcerans	lysophospholipase	0.0257	0.1402	0.3173
Trypanosoma brucei	hypothetical protein, conserved	0.0032	0.0132	0.0095
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0257	0.1402	0.1402
Trichomonas vaginalis	D-aminoacylase, putative	0.0032	0.0132	0.0132
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0368	0.203	0.203
Echinococcus granulosus	abhydrolase domain containing protein 13	0.0015	0.0037	0.0037
Plasmodium falciparum	protein-S-isoprenylcysteine O-methyltransferase, putative	0.1781	1	1
Mycobacterium tuberculosis	Probable amidase AmiD (acylamidase) (acylase)	0.0044	0.0202	0.0384
Plasmodium vivax	PST-A protein	0.0015	0.0037	0.0037
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0044	0.0202	0.0202
Treponema pallidum	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.0044	0.0202	0.5
Mycobacterium ulcerans	beta-lactamase	0.0032	0.0132	0.0221
Brugia malayi	beta-lactamase	0.0032	0.0132	0.0132
Echinococcus multilocularis	GPCR, family 2	0.0014	0.0031	0.0031
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0037	0.0037
Plasmodium vivax	PST-A protein	0.0015	0.0037	0.0037
Plasmodium falciparum	alpha/beta-hydrolase, putative	0.0015	0.0037	0.0037
Trypanosoma cruzi	hypothetical protein, conserved	0.0032	0.0132	0.0132
Plasmodium falciparum	prodrug activation and resistance esterase	0.0015	0.0037	0.0037
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0037	0.0037
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0032	0.0132	0.0132
Plasmodium falciparum	BEM46-like protein, putative	0.0015	0.0037	0.0037
Trypanosoma cruzi	hypothetical protein, conserved	0.0032	0.0132	0.0132
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0044	0.0202	0.0202
Mycobacterium tuberculosis	Conserved protein	0.0032	0.0132	0.0221
Toxoplasma gondii	isoprenylcysteine carboxyl methyltransferase (icmt) family protein	0.1781	1	1
Mycobacterium tuberculosis	Probable esterase LipL	0.0032	0.0132	0.0221
Plasmodium falciparum	esterase, putative	0.0015	0.0037	0.0037
Trichomonas vaginalis	D-aminoacylase, putative	0.0032	0.0132	0.0132
Plasmodium vivax	hypothetical protein, conserved	0.0032	0.0132	0.0132
Mycobacterium tuberculosis	Probable amidase AmiC (aminohydrolase)	0.0044	0.0202	0.0384
Plasmodium falciparum	exported lipase 2	0.0015	0.0037	0.0037
Plasmodium vivax	glutamyl-tRNA(Gln) amidotransferase subunit A, putative	0.0044	0.0202	0.0202
Plasmodium falciparum	alpha/beta hydrolase fold domain containing protein, putative	0.0015	0.0037	0.0037
Mycobacterium tuberculosis	Possible lysophospholipase	0.0257	0.1402	0.3173
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0033	0.0136	0.0099
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0037	0.0037
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0257	0.1402	0.1402
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0037	0.0037
Schistosoma mansoni	hypothetical protein	0.003	0.0123	0.0123
Schistosoma mansoni	hypothetical protein	0.0014	0.0031	0.0031
Mycobacterium ulcerans	peptide amidase, GatA	0.0044	0.0202	0.0384
Mycobacterium ulcerans	esterase/lipase LipP	0.0032	0.0132	0.0221
Brugia malayi	MGC83647 protein	0.0015	0.0037	0.0037
Schistosoma mansoni	amidase	0.0368	0.203	0.203
Toxoplasma gondii	ABC1 family protein	0.0032	0.0132	0.0132
Plasmodium vivax	PST-A protein	0.0015	0.0037	0.0037
Leishmania major	Bem46-like serine peptidase,Serine peptidase, Clan SC, Family S09X	0.0015	0.0037	0.0037
Trichomonas vaginalis	D-aminoacylase, putative	0.0032	0.0132	0.0132
Toxoplasma gondii	hypothetical protein	0.0015	0.0037	0.0037
Trichomonas vaginalis	protein-S isoprenylcysteine O-methyltransferase, putative	0.1781	1	1
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0622	0.346	0.346
Trypanosoma cruzi	cruzipain precursor, putative	0.0033	0.0136	0.0136
Echinococcus multilocularis	abhydrolase domain containing 3	0.0015	0.0037	0.0037
Mycobacterium tuberculosis	Probable lipase LipD	0.0032	0.0132	0.0221
Brugia malayi	amidase	0.0368	0.203	0.203
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0033	0.0136	0.0099
Plasmodium vivax	PST-A protein	0.0257	0.1402	0.1402
Leishmania major	monoglyceride lipase, putative	0.0257	0.1402	0.1402
Loa Loa (eye worm)	protein-S isoprenylcysteine O-methyltransferase	0.1781	1	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0014	0.0031	0.0031
Schistosoma mansoni	protein-s-isoprenylcysteine o-methyltransferase	0.1781	1	1
Onchocerca volvulus		0.0032	0.0132	1
Plasmodium vivax	alpha/beta hydrolase, putative	0.0015	0.0037	0.0037
Plasmodium vivax	hypothetical protein, conserved	0.0015	0.0037	0.0037
Trichomonas vaginalis	Clan SC, family S9, unassigned serine peptidase	0.0015	0.0037	0.0037
Trypanosoma cruzi	Alpha/beta hydrolase family, putative	0.0015	0.0037	0.0037
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0204	0.1105	0.2482
Mycobacterium ulcerans	hypothetical protein	0.0778	0.4339	1
Plasmodium vivax	unspecified product	0.0015	0.0037	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0132	0.0132
Plasmodium vivax	PST-A protein	0.0015	0.0037	0.0037
Mycobacterium ulcerans	amidase	0.0044	0.0202	0.0384
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0037	0.0037
Plasmodium falciparum	lysophospholipase, putative	0.0015	0.0037	0.0037
Plasmodium falciparum	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0044	0.0202	0.0202
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0257	0.1402	0.1402
Schistosoma mansoni	hypothetical protein	0.0014	0.0031	0.0031
Trypanosoma cruzi	amidase, putative	0.0044	0.0202	0.0202
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0037	0.0037
Echinococcus granulosus	Phospholipase carboxylesterase	0.0015	0.0037	0.0037
Mycobacterium leprae	POSSIBLE LYSOPHOSPHOLIPASE	0.0257	0.1402	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0032	0.0132	0.0132
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0368	0.203	0.203
Plasmodium vivax	unspecified product	0.0015	0.0037	0.0037
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0033	0.0136	0.0099
Brugia malayi	latrophilin 2 splice variant baaae	0.003	0.0123	0.0123
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0132	0.0132
Schistosoma mansoni	family S9 unassigned peptidase (S09 family)	0.0015	0.0037	0.0037
Trypanosoma brucei	monoglyceride lipase, putative	0.0257	0.1402	0.137
Trichomonas vaginalis	Clan SC, family S9, unassigned serine peptidase	0.0015	0.0037	0.0037
Mycobacterium tuberculosis	Possible amidase (aminohydrolase)	0.0044	0.0202	0.0384
Brugia malayi	Protein C20orf22	0.0015	0.0037	0.0037
Mycobacterium ulcerans	amidase	0.0044	0.0202	0.0384
Plasmodium falciparum	exported lipase 1	0.0015	0.0037	0.0037
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0015	0.0037	0.0037
Toxoplasma gondii	esterase/lipase/thioesterase domain-containing protein	0.0015	0.0037	0.0037
Trichomonas vaginalis	protein-S isoprenylcysteine O-methyltransferase, putative	0.1781	1	1
Brugia malayi	Amidase family protein	0.0044	0.0202	0.0202
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0032	0.0132	0.0132
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0014	0.0031	0.0031
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0015	0.0037	0.0037
Trypanosoma brucei	fatty-acid amide hydrolase, putative	0.0044	0.0202	0.0166
Leishmania major	cathepsin L-like protease	0.0033	0.0136	0.0136
Trypanosoma cruzi	prenyl protein specific carboxyl methyltransferase, putative	0.1781	1	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0044	0.0202	0.0202
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0033	0.0136	0.0099
Toxoplasma gondii	protein c14orf29, putative	0.0015	0.0037	0.0037
Trichomonas vaginalis	conserved hypothetical protein	0.0257	0.1402	0.1402
Mycobacterium ulcerans	lipase LipD	0.0032	0.0132	0.0221
Leishmania major	hypothetical protein, conserved	0.0015	0.0037	0.0037
Plasmodium falciparum	alpha/beta hydrolase, putative	0.0015	0.0037	0.0037
Leishmania major	prenyl protein specific carboxyl methyltransferase, putative	0.1781	1	1
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0032	0.0132	0.0221
Trichomonas vaginalis	penicillin-binding protein, putative	0.0032	0.0132	0.0132
Wolbachia endosymbiont of Brugia malayi	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.0044	0.0202	0.5
Schistosoma mansoni	fatty-acid amide hydrolase	0.0368	0.203	0.203
Brugia malayi	Amidase family protein	0.0044	0.0202	0.0202
Trypanosoma cruzi	Serine peptidase, Clan SC, Family S09X, putative	0.0015	0.0037	0.0037
Mycobacterium tuberculosis	Conserved protein	0.0032	0.0132	0.0221
Echinococcus granulosus	beta LACTamase domain containing family member	0.0032	0.0132	0.0132
Trichomonas vaginalis	Clan SC, family S9, unassigned serine peptidase	0.0015	0.0037	0.0037
Plasmodium falciparum	alpha/beta hydrolase, putative	0.0015	0.0037	0.0037
Schistosoma mansoni	family S9 unassigned peptidase (S09 family)	0.0015	0.0037	0.0037
Entamoeba histolytica	hypothetical protein	0.0015	0.0037	0.0037
Plasmodium falciparum	alpha/beta hydrolase, putative	0.0015	0.0037	0.0037
Plasmodium vivax	protein-S-isoprenylcysteine O-methyltransferase, putative	0.1781	1	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0037	0.0037
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0015	0.0037	0.0037
Schistosoma mansoni	fatty-acid amide hydrolase	0.0044	0.0202	0.0202
Trypanosoma cruzi	major cysteine proteinase, putative	0.0026	0.0096	0.0096
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0033	0.0136	0.0099
Trypanosoma cruzi	prenyl protein specific carboxyl methyltransferase, putative	0.1781	1	1
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0032	0.0132	0.0221
Toxoplasma gondii	peptidase S15, putative	0.0015	0.0037	0.0037
Trypanosoma cruzi	amidase, putative	0.0044	0.0202	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0132	0.0132
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0032	0.0132	0.0221
Entamoeba histolytica	prenyl cysteine carboxyl methyltransferase, putative	0.1781	1	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.003	0.012	0.012
Entamoeba histolytica	hypothetical protein	0.0015	0.0037	0.0037
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0032	0.0132	0.0221
Trypanosoma cruzi	cysteine peptidase, putative	0.0033	0.0136	0.0136
Toxoplasma gondii	phospholipase	0.0015	0.0037	0.0037
Plasmodium falciparum	esterase, putative	0.0257	0.1402	0.1402
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0037	0.0037
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0037	0.0037
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0044	0.0202	0.0202
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0033	0.0136	0.0099
Schistosoma mansoni	hypothetical protein	0.0014	0.0031	0.0031
Mycobacterium ulcerans	amidase	0.0044	0.0202	0.0384
Trypanosoma brucei	prenyl protein specific carboxyl methyltransferase	0.1781	1	1
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0257	0.1402	0.1402
Trypanosoma cruzi	monoglyceride lipase, putative	0.0257	0.1402	0.1402
Toxoplasma gondii	phospholipase/carboxylesterase	0.0015	0.0037	0.0037
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0044	0.0202	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0368	0.203	0.203
Chlamydia trachomatis	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0044	0.0202	1
Entamoeba histolytica	prenyl cysteine carboxyl methyltransferase, putative	0.1781	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0037	0.0037
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0014	0.0031	0.0031
Plasmodium falciparum	lysophospholipase, putative	0.0257	0.1402	0.1402
Echinococcus multilocularis	monoacylglycerol lipase abhd12	0.0015	0.0037	0.0037
Leishmania major	hypothetical protein, conserved	0.0044	0.0202	0.0202
Toxoplasma gondii	hypothetical protein	0.0015	0.0037	0.0037
Mycobacterium tuberculosis	Conserved protein	0.0032	0.0132	0.0221
Leishmania major	cathepsin L-like protease	0.0033	0.0136	0.0136
Trichomonas vaginalis	Clan SC, family S9, unassigned serine peptidase	0.0015	0.0037	0.0037
Onchocerca volvulus		0.0032	0.0132	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0037	0.0037
Toxoplasma gondii	hydrolase, alpha/beta fold family protein	0.0015	0.0037	0.0037
Mycobacterium tuberculosis	Probable amidase AmiB2 (aminohydrolase)	0.0044	0.0202	0.0384
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0037	0.0037
Mycobacterium tuberculosis	Conserved hypothetical membrane protein	0.0778	0.4339	1
Plasmodium vivax	lysophospholipase, putative	0.0015	0.0037	0.0037
Mycobacterium tuberculosis	Probable hydrolase	0.0032	0.0132	0.0221
Mycobacterium ulcerans	hypothetical protein	0.0032	0.0132	0.0221
Trichomonas vaginalis	esterase, putative	0.0032	0.0132	0.0132
Plasmodium vivax	hypothetical protein, conserved	0.0015	0.0037	0.0037
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0368	0.203	0.203
Leishmania major	hypothetical protein, conserved	0.0015	0.0037	0.0037
Mycobacterium leprae	PROBABLE AMIDASE AMIC (AMINOHYDROLASE)	0.0044	0.0202	0.0552
Mycobacterium ulcerans	amidase	0.0044	0.0202	0.0384
Echinococcus granulosus	protein S isoprenylcysteine O methyltransferase	0.1781	1	1
Loa Loa (eye worm)	amidase	0.0044	0.0202	0.0202
Echinococcus multilocularis		0.1781	1	1
Echinococcus granulosus	glutamyl tRNAGln amidotransferase subunit A	0.0044	0.0202	0.0202
Trypanosoma cruzi	serine peptidase, putative	0.0015	0.0037	0.0037
Echinococcus multilocularis	Phospholipase carboxylesterase	0.0015	0.0037	0.0037
Plasmodium falciparum	esterase, putative	0.0015	0.0037	0.0037
Trichomonas vaginalis	Clan SC, family S9, unassigned serine peptidase	0.0015	0.0037	0.0037
Brugia malayi	beta-lactamase family protein	0.0032	0.0132	0.0132
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0015	0.0037	0.0037
Echinococcus granulosus	abhydrolase domain containing 3	0.0015	0.0037	0.0037
Brugia malayi	beta-lactamase family protein	0.0032	0.0132	0.0132
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0132	0.0132
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0014	0.0031	0.0031
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0032	0.0132	0.0132
Plasmodium falciparum	alpha/beta hydrolase, putative	0.0015	0.0037	0.0037
Plasmodium falciparum	lysophospholipase, putative	0.0015	0.0037	0.0037
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0033	0.0136	0.0099
Entamoeba histolytica	hydrolase, alpha/beta fold family domain containing protein	0.0015	0.0037	0.0037
Plasmodium falciparum	alpha/beta hydrolase, putative	0.0015	0.0037	0.0037
Loa Loa (eye worm)	beta-lactamase	0.0032	0.0132	0.0132
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0032	0.0132	0.0132
Plasmodium vivax	PST-A protein	0.0015	0.0037	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0037	0.0037
Trichomonas vaginalis	conserved hypothetical protein	0.0257	0.1402	0.1402
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0032	0.0132	0.0132
Trypanosoma cruzi	Alpha/beta hydrolase family, putative	0.0015	0.0037	0.0037
Echinococcus granulosus	GPCR family 2	0.0014	0.0031	0.0031
Mycobacterium tuberculosis	Probable amidase AmiA2 (aminohydrolase)	0.0044	0.0202	0.0384
Trypanosoma cruzi	cysteine peptidase, putative	0.0033	0.0136	0.0136
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0257	0.1402	0.1402
Giardia lamblia	Isoprenylcysteine carboxyl methyltransferase	0.1781	1	1
Schistosoma mansoni	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0044	0.0202	0.0202
Plasmodium vivax	lysophospholipase, putative	0.0015	0.0037	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0132	0.0132
Leishmania major	hypothetical protein, conserved	0.0032	0.0132	0.0132
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0037	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0202	0.0202
Trypanosoma cruzi	cysteine peptidase, putative	0.0033	0.0136	0.0136
Entamoeba histolytica	;Alias	0.0015	0.0037	0.0037
Echinococcus granulosus	monoacylglycerol lipase abhd12	0.0015	0.0037	0.0037
Mycobacterium leprae	PROBABLE GLUTAMYL-TRNA(GLN) AMIDOTRANSFERASE (SUBUNIT A) GATA (Glu-ADT SUBUNIT A)	0.0044	0.0202	0.0552
Trypanosoma brucei	monoglyceride lipase, putative	0.0257	0.1402	0.137
Plasmodium falciparum	epoxide hydrolase 2	0.0015	0.0037	0.0037
Toxoplasma gondii	hydrolase, alpha/beta fold family protein	0.0015	0.0037	0.0037
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0033	0.0136	0.0099
Trypanosoma cruzi	serine peptidase, putative	0.0015	0.0037	0.0037
Echinococcus multilocularis	glutamyl tRNA(Gln) amidotransferase subunit A	0.0044	0.0202	0.0202
Schistosoma mansoni	hypothetical protein	0.0014	0.0031	0.0031
Brugia malayi	MGC79044 protein	0.0015	0.0037	0.0037
Entamoeba histolytica	hydrolase, alpha/beta fold family domain containing protein	0.0257	0.1402	0.1402
Entamoeba histolytica	hydrolase, alpha/beta fold family domain containing protein	0.0257	0.1402	0.1402
Mycobacterium ulcerans	amidase	0.0044	0.0202	0.0384
Leishmania major	cathepsin L-like protease	0.0033	0.0136	0.0136
Plasmodium falciparum	lysophospholipase, putative	0.0257	0.1402	0.1402
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0033	0.0136	0.0099
Loa Loa (eye worm)	amidase	0.0044	0.0202	0.0202
Brugia malayi	putative amidase	0.0044	0.0202	0.0202
Toxoplasma gondii	hypothetical protein	0.0015	0.0037	0.0037

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 76 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)	= 0.7 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: CHEMBL3325663

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 925786