TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 457.561 | Formula: C29H31NO4
H donors: 1 H acceptors: 3 LogP: 4.7 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)CC/C=C\CC[C@H]1[C@H](CO[C@H]1c1cccnc1)OCc1ccc(cc1)c1ccccc1
InChi: 1S/C29H31NO4/c31-28(32)13-7-2-1-6-12-26-27(21-34-29(26)25-11-8-18-30-19-25)33-20-22-14-16-24(17-15-22)23-9-4-3-5-10-23/h1-5,8-11,14-19,26-27,29H,6-7,12-13,20-21H2,(H,31,32)/b2-1-/t26-,27-,29-/m0/s1
InChiKey: NMJYFIAGWNELHF-VQRPZSEWSA-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	thromboxane A synthase 1 (platelet)	Starlite/ChEMBL	No references
Homo sapiens	thromboxane A2 receptor	Starlite/ChEMBL	No 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
Trypanosoma brucei	cytochrome P450, putative	thromboxane A synthase 1 (platelet)	534 aa	498 aa	21.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	microtubule-associated protein tau	0.0729	0.3742	0.373
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0011	0.0006
Entamoeba histolytica	hypothetical protein	0.0038	0.0114	0.0095
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0035	0.003
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0011	0.0006
Brugia malayi	hypothetical protein	0.0065	0.0257	0.0246
Trichomonas vaginalis	glucosylceramidase, putative	0.0273	0.1347	0.1331
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0035	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0235	0.1149	0.1145
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0048	0.0169	0.0158
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0011	0.0006
Loa Loa (eye worm)	hypothetical protein	0.013	0.0596	0.0591
Schistosoma mansoni	alpha-glucosidase	0.0141	0.0654	0.0636
Schistosoma mansoni	adenosylhomocysteinase	0.1921	1	1
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0036	0.0105	0.0101
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0035	0.0024
Trichomonas vaginalis	glucosylceramidase, putative	0.0179	0.0855	0.0837
Schistosoma mansoni	adenosylhomocysteinase	0.1189	0.6156	0.6149
Echinococcus granulosus	adenosylhomocysteinase	0.1921	1	1
Echinococcus granulosus	survival motor neuron protein 1	0.0235	0.1149	0.1132
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0011	0.0006
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0041	0.0132	0.0121
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0273	0.1347	0.1343
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0048	0.0169	0.0164
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0035	0.003
Echinococcus granulosus	mitogen activated protein kinase 3	0.0049	0.0174	0.0155
Leishmania major	alpha glucosidase II subunit, putative	0.0036	0.0105	0.0086
Plasmodium falciparum	adenosylhomocysteinase	0.1921	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.0585	0.0567
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0011	0.0006
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0169	0.015
Echinococcus granulosus	tar DNA binding protein	0.0128	0.0585	0.0567
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0017	0.0005	0.5
Entamoeba histolytica	hypothetical protein	0.0038	0.0114	0.0095
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0035	0.003
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.014	0.0652	0.0634
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0169	0.015
Schistosoma mansoni	hypothetical protein	0.0038	0.0114	0.0095
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0038	0.0114	0.0095
Trichomonas vaginalis	glucosylceramidase, putative	0.0179	0.0855	0.0837
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0011	0.0006
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0041	0.0132	0.0113
Echinococcus granulosus	Niemann Pick C1 protein	0.0302	0.1502	0.1485
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0035	0.0024
Loa Loa (eye worm)	RNA binding protein	0.0128	0.0585	0.058
Loa Loa (eye worm)	hypothetical protein	0.0301	0.1494	0.149
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0049	0.0174	0.0169
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0011	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0093	0.0088
Loa Loa (eye worm)	patched family protein	0.0018	0.0011	0.0006
Schistosoma mansoni	patched 1	0.013	0.0596	0.0578
Schistosoma mansoni	hypothetical protein	0.0125	0.0571	0.0553
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0169	0.015
Echinococcus granulosus	expressed conserved protein	0.0284	0.1406	0.1389
Onchocerca volvulus	Glucosylceramidase homolog	0.0179	0.0855	1
Brugia malayi	RNA binding protein	0.0128	0.0585	0.0574
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0011	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0011	0.0006
Echinococcus multilocularis	protein patched	0.013	0.0596	0.0578
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0011	0.0006
Brugia malayi	RNA recognition motif domain containing protein	0.0128	0.0585	0.0574
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0035	0.0016
Trypanosoma cruzi	S-adenosylhomocysteine hydrolase, putative	0.1921	1	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0273	0.1347	0.1331
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0049	0.0174	0.0155
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0307	0.1526	0.151
Loa Loa (eye worm)	patched family protein	0.0018	0.0011	0.0006
Echinococcus multilocularis	sterol regulatory element binding protein	0.013	0.0596	0.0578
Onchocerca volvulus		0.0023	0.0035	0.0288
Plasmodium falciparum	ataxin-2 like protein, putative	0.0101	0.0445	0.044
Plasmodium vivax	patched family protein, putative	0.0018	0.0011	0.0006
Echinococcus multilocularis	muscleblind protein	0.0301	0.1494	0.1478
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0302	0.1502	0.1485
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0049	0.0174	0.0155
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0049	0.0174	0.0155
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.0175	0.017
Echinococcus multilocularis	Niemann Pick C1 protein	0.0432	0.2183	0.2168
Trichomonas vaginalis	glucosylceramidase, putative	0.0179	0.0855	0.0837
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.013	0.0596	0.0591
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0011	0.0006
Echinococcus granulosus	Protein patched homolog 1	0.013	0.0596	0.0578
Trichomonas vaginalis	CMGC family protein kinase	0.0049	0.0174	0.0155
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0036	0.0105	0.0086
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0041	0.0132	0.0121
Schistosoma mansoni	alpha glucosidase	0.0036	0.0105	0.0086
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0036	0.0105	0.0086
Trypanosoma cruzi	S-adenosylhomocysteine hydrolase, putative	0.1921	1	1
Echinococcus multilocularis	mitogen activated protein kinase	0.0049	0.0174	0.0155
Giardia lamblia	Histone acetyltransferase GCN5	0.0038	0.0113	0.6096
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0164	0.0774	0.0763
Entamoeba histolytica	acetyltransferase, GNAT family	0.0038	0.0113	0.0095
Brugia malayi	hypothetical protein	0.0038	0.0114	0.0103
Loa Loa (eye worm)	TAR-binding protein	0.0128	0.0585	0.058
Echinococcus granulosus	Niemann Pick C1 protein	0.0432	0.2183	0.2168
Plasmodium vivax	adenosylhomocysteinase(S-adenosyl-L-homocystein e hydrolase), putative	0.1921	1	1
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0041	0.0132	0.0127
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.014	0.0652	0.0634
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0105	0.0086
Schistosoma mansoni	adenosylhomocysteinase	0.1189	0.6156	0.6149
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.002	0.0019	0.0014
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0045	0.0152	0.0134
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0273	0.1347	0.1338
Schistosoma mansoni	hypothetical protein	0.0034	0.0093	0.0074
Loa Loa (eye worm)	adenosylhomocysteinase	0.1921	1	1
Schistosoma mansoni	alpha-glucosidase	0.0141	0.0654	0.0636
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0035	0.0016
Schistosoma mansoni	serine/threonine protein kinase	0.0049	0.0174	0.0155
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0105	0.0086
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0036	0.0105	0.0086
Trichomonas vaginalis	adenosylhomocysteinase, putative	0.1921	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.0585	0.0567
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.0585	0.0567
Trypanosoma brucei	PAB1-binding protein , putative	0.0101	0.0445	0.0426
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0041	0.0132	0.0113
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0169	0.015
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0011	0.0006
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0105	0.0086
Schistosoma mansoni	adenosylhomocysteinase	0.1189	0.6156	0.6149
Trichomonas vaginalis	CMGC family protein kinase	0.0049	0.0174	0.0155
Echinococcus multilocularis	Niemann Pick C1 protein	0.0302	0.1502	0.1485
Loa Loa (eye worm)	hypothetical protein	0.005	0.0175	0.017
Trypanosoma cruzi	PAB1-binding protein , putative	0.0101	0.0445	0.0426
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0011	0.0006
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0035	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0011	0.0006
Brugia malayi	MAP kinase sur-1	0.0049	0.0174	0.0163
Trichomonas vaginalis	CMGC family protein kinase	0.0049	0.0174	0.0155
Trypanosoma cruzi	PAB1-binding protein , putative	0.0101	0.0445	0.0426
Trypanosoma brucei	glucosidase, putative	0.0036	0.0105	0.0086
Loa Loa (eye worm)	patched family protein	0.0018	0.0011	0.0006
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.1705	0.8863	0.8861
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0011	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0011	0.0006
Onchocerca volvulus		0.0095	0.0412	0.4747
Mycobacterium ulcerans	S-adenosyl-L-homocysteine hydrolase	0.1921	1	1
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0035	0.003
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0011	0.0006
Echinococcus granulosus	neutral alpha glucosidase AB	0.0036	0.0105	0.0086
Trichomonas vaginalis	adenosylhomocysteinase, putative	0.0603	0.3081	0.3067
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0036	0.0105	0.0094
Entamoeba histolytica	acyl-coA synthetase, putative	0.0023	0.0035	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0011	0.0006
Brugia malayi	Niemann-Pick C1 protein precursor	0.0302	0.1502	0.1492
Schistosoma mansoni	transcription factor LCR-F1	0.0038	0.0114	0.0095
Toxoplasma gondii	LsmAD domain-containing protein	0.0101	0.0445	0.0434
Entamoeba histolytica	hypothetical protein	0.0038	0.0114	0.0095
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0011	0.0006
Plasmodium vivax	ataxin-2 like protein, putative	0.0101	0.0445	0.044
Echinococcus multilocularis	protein dispatched 1	0.0148	0.0692	0.0674
Trichomonas vaginalis	glucosylceramidase, putative	0.0179	0.0855	0.0837
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0049	0.0174	0.0155
Echinococcus granulosus	microtubule associated protein 2	0.0729	0.3742	0.373
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.002	0.0019	0.0014
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0035	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0011	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0011	0.0006
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0169	0.015
Treponema pallidum	exodeoxyribonuclease (exoA)	0.002	0.0019	0.5
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0093	0.0082
Trichomonas vaginalis	adenosylhomocysteinase, putative	0.1921	1	1
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0049	0.0174	0.0155
Leishmania major	hypothetical protein, conserved	0.0101	0.0445	0.0426
Schistosoma mansoni	adenosylhomocysteinase	0.1189	0.6156	0.6149
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.0175	0.0164
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0164	0.0774	0.0756
Echinococcus multilocularis	muscleblind protein 1	0.0301	0.1494	0.1478
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0035	0.003
Echinococcus multilocularis	tar DNA binding protein	0.0128	0.0585	0.0567
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0035	0.003
Trichomonas vaginalis	glucosylceramidase, putative	0.0179	0.0855	0.0837
Echinococcus multilocularis	adenosylhomocysteinase	0.1921	1	1
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0036	0.0105	0.0094
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0049	0.0174	0.0155
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0035	0.003
Trichomonas vaginalis	glucosylceramidase, putative	0.0273	0.1347	0.1331
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0164	0.0774	0.0769
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0136	0.0631	0.0613
Leishmania major	S-adenosylhomocysteine hydrolase	0.1921	1	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0011	0.0006
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.0585	0.0567
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0035	0.003
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0049	0.0174	0.0163
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0035	0.0035
Schistosoma mansoni	hypothetical protein	0.0125	0.0571	0.0553
Echinococcus granulosus	mitogen activated protein kinase	0.0049	0.0174	0.0155
Trichomonas vaginalis	conserved hypothetical protein	0.013	0.0596	0.0578
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0011	0.0006
Brugia malayi	hypothetical protein	0.0101	0.0445	0.0434
Brugia malayi	acetyltransferase, GNAT family protein	0.014	0.0652	0.0641
Trichomonas vaginalis	CMGC family protein kinase	0.0049	0.0174	0.0155
Trichomonas vaginalis	glucosylceramidase, putative	0.0189	0.0905	0.0888
Plasmodium falciparum	histone acetyltransferase GCN5	0.0038	0.0113	0.0109
Brugia malayi	hypothetical protein	0.0235	0.1149	0.1139
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.0019	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0011	0.0006
Trichomonas vaginalis	glucosylceramidase, putative	0.0273	0.1347	0.1331
Echinococcus granulosus	lysosomal alpha glucosidase	0.0164	0.0774	0.0756
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.002	0.0019	0.0019
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.0585	0.0567
Loa Loa (eye worm)	acetyltransferase	0.014	0.0652	0.0647
Mycobacterium leprae	putative S-adenosyl-L-homocysteine hydrolase SahH	0.1921	1	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0273	0.1347	0.1331
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0017	0.0005	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0011	0.0006
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0035	0.003
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0169	0.015
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0169	0.015
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0128	0.0585	0.058
Toxoplasma gondii	S-Adenosyl homocysteine hydrolase	0.1921	1	1
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0048	0.0167	0.0156
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0036	0.0105	0.0086
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0105	0.0086
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0035	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0035	0.003
Mycobacterium tuberculosis	Probable adenosylhomocysteinase SahH (S-adenosyl-L-homocysteine hydrolase) (adohcyase)	0.1921	1	1
Entamoeba histolytica	adenosylhomocysteinase, putative	0.1921	1	1
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0041	0.0132	0.0113
Echinococcus multilocularis	expressed conserved protein	0.0284	0.1406	0.1389
Toxoplasma gondii	adenosylhomocysteinase, putative	0.1921	1	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0105	0.0086
Trypanosoma brucei	protein kinase, putative	0.0049	0.0174	0.0155
Schistosoma mansoni	survival motor neuron protein	0.0048	0.0167	0.0148
Trichomonas vaginalis	glucosylceramidase, putative	0.0179	0.0855	0.0837
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0011	0.0006
Trypanosoma brucei	S-adenosylhomocysteine hydrolase, putative	0.1921	1	1
Entamoeba histolytica	hypothetical protein	0.0038	0.0114	0.0095
Echinococcus granulosus	muscleblind protein	0.0301	0.1494	0.1478
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0164	0.0774	0.0756
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0045	0.0152	0.0134
Loa Loa (eye worm)	patched family protein	0.0018	0.0011	0.0006
Schistosoma mansoni	hypothetical protein	0.0125	0.0571	0.0553
Trichomonas vaginalis	glucosylceramidase, putative	0.0189	0.0905	0.0888
Schistosoma mansoni	hypothetical protein	0.0125	0.0571	0.0553
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0011	0.0006
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0036	0.0105	0.0086
Echinococcus multilocularis	microtubule associated protein 2	0.0729	0.3742	0.373
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0035	0.0016
Echinococcus multilocularis	survival motor neuron protein 1	0.0235	0.1149	0.1132
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0011	0.0006
Brugia malayi	CHE-14 protein	0.013	0.0596	0.0585
Schistosoma mansoni	hypothetical protein	0.0048	0.0167	0.0148
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0011	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0011	0.0006
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0038	0.0114	0.0095
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0011	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0302	0.1502	0.1498
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0036	0.0105	0.0086
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0036	0.0105	0.0086
Schistosoma mansoni	hypothetical protein	0.0045	0.0152	0.0134
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0105	0.0086
Brugia malayi	Muscleblind-like protein	0.0301	0.1494	0.1485
Toxoplasma gondii	exonuclease III APE	0.002	0.0019	0.0008
Loa Loa (eye worm)	patched family protein	0.0018	0.0011	0.0006
Plasmodium falciparum	ataxin-2 like protein, putative	0.0101	0.0445	0.044
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.0175	0.0164
Trichomonas vaginalis	glucosylceramidase, putative	0.0273	0.1347	0.1331
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.0019	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0301	0.1494	0.149
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.002	0.0019	0.5
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0049	0.0174	0.0155
Brugia malayi	TAR-binding protein	0.0128	0.0585	0.0574
Plasmodium falciparum	lipid/sterol:H+ symporter	0.0018	0.0011	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0159	0.0749	0.0745
Echinococcus granulosus	sterol regulatory element binding protein	0.013	0.0596	0.0578
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0445	0.044
Onchocerca volvulus		0.0048	0.0167	0.1844
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0105	0.0086
Brugia malayi	exodeoxyribonuclease III family protein	0.002	0.0019	0.0008
Trichomonas vaginalis	glucosylceramidase, putative	0.0179	0.0855	0.0837
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0035	0.003
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0049	0.0174	0.0155
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0011	0.0006
Giardia lamblia	Kinase, CMGC MAPK	0.0049	0.0174	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 32 nM	In vitro inhibition of the compound against thromboxane synthase	ChEMBL.	No reference
IC50 (binding)	= 32 nM	In vitro inhibition of the compound against thromboxane synthase	ChEMBL.	No reference
IC50 (functional)	= 795 nM	In vitro thromboxane receptor antagonist against U-46619 induced aggregation of washed human platelets	ChEMBL.	No reference
IC50 (functional)	= 795 nM	In vitro thromboxane receptor antagonist against U-46619 induced aggregation of washed human platelets	ChEMBL.	No reference
pA2 (functional)		In vitro Thromboxane receptor antagonist against U-46619 induced contraction of dog saphenous vein; Not tested	ChEMBL.	No reference
pA2 (functional)	0	In vitro Thromboxane receptor antagonist against U-46619 induced contraction of dog saphenous vein; Not tested	ChEMBL.	No reference

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: CHEMBL65622

Bibliographic References

No literature references available for this target.

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Detailed information for compound 104532