TDR Targets

Basic information

Technical information

TDR Targets ID: 205492
Name: (Z)-6-[(3S,4S)-4-(2-hydroxyphenyl)-1-isoquino lin-5-ylsulfonylpyrrolidin-3-yl]hex-4-enoic a cid
MW: 466.549 | Formula: C25H26N2O5S
H donors: 2 H acceptors: 6 LogP: 3.41 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)CC/C=C\C[C@@H]1CN(C[C@@H]1c1ccccc1O)S(=O)(=O)c1cccc2c1ccnc2
InChi: 1S/C25H26N2O5S/c28-23-10-5-4-9-21(23)22-17-27(16-19(22)7-2-1-3-12-25(29)30)33(31,32)24-11-6-8-18-15-26-14-13-20(18)24/h1-2,4-6,8-11,13-15,19,22,28H,3,7,12,16-17H2,(H,29,30)/b2-1-/t19-,22+/m1/s1
InChiKey: UBJAMZPBAMJFDV-KXNLUABASA-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

(Z)-6-[(3S,4S)-4-(2-hydroxyphenyl)-1-(5-isoquinolylsulfonyl)pyrrolidin-3-yl]hex-4-enoic acid
(Z)-6-[(3S,4S)-4-(2-hydroxyphenyl)-1-(5-isoquinolylsulfonyl)-3-pyrrolidinyl]-4-hexenoic acid
(Z)-6-[(3S,4S)-4-(2-hydroxyphenyl)-1-isoquinolin-5-ylsulfonyl-pyrrolidin-3-yl]hex-4-enoic acid
(Z)-6-[(3S,4S)-4-(2-hydroxyphenyl)-1-(5-isoquinolylsulfonyl)-3-pyrrolidinyl]hex-4-enoic acid

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
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

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0342	0.0302
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0078	0.0857	0.0819
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.005	0.0474	0.5739
Trichomonas vaginalis	spcc417.12 protein, putative	0.0022	0.0084	0.0059
Mycobacterium ulcerans	hypothetical protein	0.0073	0.0795	0.1718
Loa Loa (eye worm)	PHD-finger family protein	0.0024	0.0107	0.0066
Echinococcus multilocularis	geminin	0.0317	0.418	0.4156
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0024	0.0105	0.0847
Trichomonas vaginalis	D-aminoacylase, putative	0.0073	0.0795	0.104
Trypanosoma brucei	metallo-peptidase, Clan MA(E) Family M1	0.0039	0.0321	0.3703
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0122	0.1071
Leishmania major	hypothetical protein, conserved	0.0073	0.0795	1
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0039	0.0321	0.028
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0437	0.0397
Trichomonas vaginalis	glucosylceramidase, putative	0.0138	0.1692	0.2276
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0542	0.7294	1
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.0024	0.0105	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0105	0.0064
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0022	0.0084	0.0043
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0084	0.0043
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0022	0.0084	0.0043
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0022	0.0084	0.0043
Giardia lamblia	Fructose-bisphosphate aldolase	0.0542	0.7294	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0092	0.1048	0.2341
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0039	0.0321	0.028
Trichomonas vaginalis	conserved hypothetical protein	0.0023	0.009	0.0067
Onchocerca volvulus		0.0024	0.0105	0.013
Trichomonas vaginalis	glucosylceramidase, putative	0.021	0.2696	0.366
Schistosoma mansoni	cytosol alanyl aminopeptidase (M01 family)	0.0039	0.0321	0.028
Loa Loa (eye worm)	leukotriene A4 hydrolase	0.0737	1	1
Schistosoma mansoni	amine oxidase	0.0024	0.0105	0.0064
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0542	0.7294	1
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0039	0.0321	0.028
Brugia malayi	MAP kinase sur-1	0.005	0.0474	0.1059
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0105	0.0064
Chlamydia trachomatis	protoporphyrinogen oxidase	0.0024	0.0105	0.5
Toxoplasma gondii	kinesin motor domain-containing protein	0.0056	0.0556	0.6529
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0078	0.0857	0.0819
Brugia malayi	Latrophilin receptor protein 2	0.0042	0.0366	0.0816
Mycobacterium ulcerans	aminopeptidase N PepN	0.0039	0.0321	0.0636
Echinococcus multilocularis	para nitrobenzyl esterase	0.0022	0.0084	0.0043
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.0039	0.0321	0.3703
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0542	0.7294	1
Echinococcus granulosus	para nitrobenzyl esterase	0.0022	0.0084	0.0043
Brugia malayi	beta-lactamase	0.0073	0.0795	0.1777
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0469	0.6281	1
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.005	0.0474	0.5739
Loa Loa (eye worm)	heterochromatin protein 1	0.0057	0.0565	0.0526
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0022	0.0084	0.0043
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0073	0.0795	0.1777
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0024	0.0105	0.0847
Brugia malayi	hypothetical protein	0.0025	0.0122	0.0273
Mycobacterium ulcerans	lipase LipD	0.0073	0.0795	0.1718
Trypanosoma brucei	hypothetical protein, conserved	0.0073	0.0795	1
Echinococcus multilocularis	aminopeptidase N	0.0039	0.0321	0.028
Brugia malayi	chromobox protein homolog 3	0.0032	0.0219	0.0489
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.021	0.2696	0.6021
Trichomonas vaginalis	glucosylceramidase, putative	0.0138	0.1692	0.2276
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0024	0.0105	0.0102
Schistosoma mansoni	hypothetical protein	0.0042	0.0366	0.0326
Toxoplasma gondii	aminopeptidase N, putative	0.0039	0.0321	0.3121
Entamoeba histolytica	aminopeptidase, putative	0.0039	0.0321	0.0385
Brugia malayi	Carboxylesterase family protein	0.0022	0.0084	0.0188
Schistosoma mansoni	hypothetical protein	0.0317	0.418	0.4156
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0039	0.0321	0.3703
Onchocerca volvulus		0.0039	0.0321	0.147
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0022	0.0084	0.0069
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0039	0.0321	0.3703
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.0024	0.0105	0.0064
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0042	0.0366	0.0326
Giardia lamblia	PHD finger protein 15	0.0024	0.0107	0.009
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0073	0.0795	0.1209
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0542	0.7294	1
Brugia malayi	jmjC domain containing protein	0.0078	0.0857	0.1913
Schistosoma mansoni	hypothetical protein	0.0092	0.1048	0.1011
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0039	0.0321	0.028
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0039	0.0321	0.028
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0124	0.0082
Schistosoma mansoni	hypothetical protein	0.0376	0.4991	0.497
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0105	0.0064
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0039	0.0321	0.028
Schistosoma mansoni	serine/threonine protein kinase	0.005	0.0474	0.0435
Toxoplasma gondii	aminopeptidase n, putative	0.0039	0.0321	0.3121
Mycobacterium ulcerans	esterase/lipase LipP	0.0073	0.0795	0.1718
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0265	0.3449	0.5462
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0039	0.0321	0.028
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0335	0.4431	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0042	0.0366	0.0326
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0321	0.028
Mycobacterium tuberculosis	Conserved protein	0.0073	0.0795	0.1209
Onchocerca volvulus	Glucosylceramidase homolog	0.0138	0.1692	1
Loa Loa (eye worm)	carboxylesterase	0.0131	0.1593	0.1558
Echinococcus multilocularis	kinesin family 1	0.0432	0.5769	0.5751
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0041	0.0092
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0042	0.0366	0.0326
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0039	0.0321	0.028
Brugia malayi	SWIRM domain containing protein	0.0024	0.0105	0.0235
Trichomonas vaginalis	penicillin-binding protein, putative	0.0073	0.0795	0.104
Echinococcus granulosus	aminopeptidase N	0.0039	0.0321	0.028
Schistosoma mansoni	jumonji domain containing protein	0.0062	0.0635	0.0596
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0029	0.0176	0.0135
Brugia malayi	Carboxylesterase family protein	0.0131	0.1593	0.3558
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0437	0.0397
Trichomonas vaginalis	glucosylceramidase, putative	0.0138	0.1692	0.2276
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0039	0.0321	0.028
Echinococcus multilocularis	peregrin	0.0024	0.0107	0.0066
Echinococcus granulosus	jumonji domain containing protein	0.0033	0.0236	0.0195
Mycobacterium ulcerans	aminopeptidase N PepN	0.0039	0.0321	0.0636
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0795	0.0757
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0048	0.0437	0.0397
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0122	0.0245
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0542	0.7294	1
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0265	0.3449	0.7764
Brugia malayi	Carboxylesterase family protein	0.0022	0.0084	0.0188
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.005	0.0474	0.0435
Brugia malayi	Carboxylesterase family protein	0.0131	0.1593	0.3558
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0042	0.0366	0.0326
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0366	0.0326
Brugia malayi	PHD-finger family protein	0.0024	0.0107	0.0239
Trichomonas vaginalis	glucosylceramidase, putative	0.021	0.2696	0.366
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0039	0.0321	0.028
Brugia malayi	hypothetical protein	0.0339	0.4477	1
Mycobacterium ulcerans	dehydrogenase	0.0024	0.0105	0.0145
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.021	0.2696	0.2666
Echinococcus multilocularis	Peptidase M1, membrane alanine aminopeptidase, N terminal	0.0039	0.0321	0.028
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0437	0.0397
Trichomonas vaginalis	glucosylceramidase, putative	0.0138	0.1692	0.2276
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0042	0.0366	0.0816
Leishmania major	aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0039	0.0321	0.3703
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0039	0.0321	0.3703
Trichomonas vaginalis	chromobox protein, putative	0.0034	0.0252	0.0291
Echinococcus granulosus	kinesin family 1	0.0432	0.5769	0.5751
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0122	0.1071
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0024	0.0105	0.0064
Mycobacterium leprae	conserved hypothetical protein	0.0073	0.0795	0.2064
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0134	0.1636	0.1601
Brugia malayi	amine oxidase, flavin-containing family protein	0.0024	0.0105	0.0235
Echinococcus granulosus	GPCR family 2	0.0042	0.0366	0.0326
Brugia malayi	TATA binding protein associated factor	0.0039	0.0321	0.0716
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0039	0.0321	0.0385
Trypanosoma brucei	Aminopeptidase M1, putative	0.0039	0.0321	0.3703
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0795	0.0757
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0073	0.0795	0.0757
Toxoplasma gondii	ABC1 family protein	0.0073	0.0795	1
Schistosoma mansoni	hypothetical protein	0.0042	0.0366	0.0326
Echinococcus multilocularis	chromobox protein 1	0.0057	0.0565	0.0526
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0122	0.0245
Trypanosoma cruzi	hypothetical protein, conserved	0.0073	0.0795	1
Schistosoma mansoni	acetylcholinesterase	0.0022	0.0084	0.0043
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0321	0.028
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0795	0.0757
Plasmodium vivax	kinesin-5	0.0056	0.0556	0.6529
Trypanosoma cruzi	Aminopeptidase M1, putative	0.0039	0.0321	0.3703
Loa Loa (eye worm)	aminopeptidase N	0.0039	0.0321	0.028
Trypanosoma brucei	Aminopeptidase M1, putative	0.0039	0.0321	0.3703
Leishmania major	UDP-galactopyranose mutase	0.0024	0.0105	0.0847
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0542	0.7294	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0105	0.0064
Toxoplasma gondii	PHD-finger domain-containing protein	0.0024	0.0107	0.0026
Brugia malayi	beta-lactamase family protein	0.0073	0.0795	0.1777
Plasmodium vivax	hypothetical protein, conserved	0.0073	0.0795	1
Mycobacterium tuberculosis	Possible oxidoreductase	0.0024	0.0105	0.0102
Brugia malayi	Peptidase family M1 containing protein	0.0039	0.0321	0.0716
Trypanosoma cruzi	metallo-peptidase, Clan MA(E) Family M1	0.0039	0.0321	0.3703
Schistosoma mansoni	hypothetical protein	0.0042	0.0366	0.0326
Echinococcus multilocularis	jumonji domain containing protein	0.0033	0.0236	0.0195
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0122	0.0081
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.0474	0.0597
Schistosoma mansoni	hypothetical protein	0.0024	0.0107	0.0066
Loa Loa (eye worm)	jmjC domain-containing protein	0.0029	0.0176	0.0135
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.005	0.0474	0.5739
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0795	0.0757
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0084	0.0043
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0022	0.0084	0.0069
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.0474	0.0597
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0022	0.0084	0.0043
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0795	0.0757
Echinococcus multilocularis	neuroligin	0.0022	0.0084	0.0043
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0122	0.0375
Schistosoma mansoni	gliotactin	0.0022	0.0084	0.0043
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.005	0.0474	0.5739
Onchocerca volvulus		0.0039	0.0321	0.147
Echinococcus granulosus	carboxylesterase 5A	0.0131	0.1593	0.1558
Onchocerca volvulus		0.0073	0.0795	0.4423
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0131	0.1593	0.1558
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0084	0.0043
Echinococcus granulosus	neuroligin	0.0022	0.0084	0.0043
Brugia malayi	Carboxylesterase family protein	0.0022	0.0084	0.0188
Mycobacterium ulcerans	oxidoreductase	0.0024	0.0105	0.0145
Mycobacterium ulcerans	monoamine oxidase	0.0024	0.0105	0.0145
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0073	0.0795	0.1209
Echinococcus multilocularis	leukotriene A 4 hydrolase	0.0737	1	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0029	0.0176	0.0135
Trypanosoma cruzi	hypothetical protein, conserved	0.0073	0.0795	1
Echinococcus granulosus	BC026374 protein S09 family	0.0022	0.0084	0.0043
Trichomonas vaginalis	glucosylceramidase, putative	0.0138	0.1692	0.2276
Schistosoma mansoni	amine oxidase	0.0024	0.0105	0.0064
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0048	0.0437	0.0976
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0134	0.1636	0.3654
Leishmania major	hypothetical protein, conserved	0.0025	0.0122	0.1071
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.005	0.0474	0.5739
Echinococcus multilocularis	protoporphyrinogen oxidase	0.0024	0.0105	0.0064
Schistosoma mansoni	hypothetical protein	0.0042	0.0366	0.0326
Echinococcus multilocularis	carboxylesterase 5A	0.0131	0.1593	0.1558
Echinococcus multilocularis	mitogen activated protein kinase	0.005	0.0474	0.0435
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0437	0.0397
Trichomonas vaginalis	chromobox protein, putative	0.0057	0.0565	0.0722
Mycobacterium tuberculosis	Conserved protein	0.0073	0.0795	0.1209
Giardia lamblia	Kinesin-5	0.0056	0.0556	0.0709
Brugia malayi	hypothetical protein	0.0024	0.0105	0.0235
Loa Loa (eye worm)	carboxylesterase	0.0022	0.0084	0.0043
Trichomonas vaginalis	D-aminoacylase, putative	0.0073	0.0795	0.104
Brugia malayi	Peptidase family M1 containing protein	0.0039	0.0321	0.0716
Plasmodium falciparum	M1-family alanyl aminopeptidase	0.0039	0.0321	0.478
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0024	0.0107	0.0066
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0073	0.0795	0.0757
Plasmodium falciparum	M1-family alanyl aminopeptidase, putative	0.0039	0.0321	0.478
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0795	0.0757
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0122	0.1071
Entamoeba histolytica	kinesin, putative	0.0056	0.0556	0.0709
Echinococcus granulosus	lysine specific demethylase 5A	0.0029	0.0176	0.0135
Brugia malayi	hypothetical protein	0.0039	0.0321	0.0716
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0542	0.7294	1
Echinococcus granulosus	chromobox protein 1	0.0057	0.0565	0.0526
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0039	0.0321	0.028
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.0039	0.0321	0.3703
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0219	0.0245
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0265	0.3449	1
Mycobacterium tuberculosis	Probable lipase LipD	0.0073	0.0795	0.1209
Mycobacterium ulcerans	carboxylesterase, LipT	0.0022	0.0084	0.0098
Trypanosoma cruzi	aminopeptidase, putative	0.0039	0.0321	0.3703
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0039	0.0321	0.0385
Echinococcus multilocularis	lysine specific demethylase 5A	0.0029	0.0176	0.0135
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0022	0.0084	0.0069
Schistosoma mansoni	Tata binding protein associated factor (M01 family)	0.0039	0.0321	0.028
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0073	0.0795	0.0757
Loa Loa (eye worm)	hypothetical protein	0.0131	0.1593	0.1558
Mycobacterium ulcerans	protoporphyrinogen oxidase	0.0024	0.0105	0.0145
Onchocerca volvulus		0.0039	0.0321	0.147
Loa Loa (eye worm)	kinesin-like protein KLP2	0.0056	0.0556	0.0517
Loa Loa (eye worm)	beta-lactamase	0.0073	0.0795	0.0757
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0219	0.0178
Loa Loa (eye worm)	hypothetical protein	0.0134	0.1636	0.1601
Mycobacterium tuberculosis	Probable hydrolase	0.0073	0.0795	0.1209
Echinococcus multilocularis	mitogen activated protein kinase 3	0.005	0.0474	0.0435
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0042	0.0366	0.0326
Echinococcus granulosus	PHD finger protein rhinoceros	0.0024	0.0107	0.0066
Mycobacterium tuberculosis	Probable esterase LipL	0.0073	0.0795	0.1209
Trichomonas vaginalis	glucosylceramidase, putative	0.021	0.2696	0.366
Loa Loa (eye worm)	hypothetical protein	0.0092	0.1048	0.1011
Echinococcus multilocularis	GPCR, family 2	0.0042	0.0366	0.0326
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0034	0.0252	0.1045
Brugia malayi	hypothetical protein	0.0022	0.0084	0.0188
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0073	0.0795	0.1718
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0219	0.0245
Schistosoma mansoni	leukotriene A4 hydrolase (M01 family)	0.0737	1	1
Plasmodium falciparum	kinesin-5	0.0056	0.0556	1
Echinococcus granulosus	acetylcholinesterase	0.0131	0.1593	0.1558
Brugia malayi	Kinesin motor domain containing protein	0.0056	0.0556	0.1242
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0437	0.0397
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0024	0.0105	0.0064
Echinococcus granulosus	geminin	0.0317	0.418	0.4156
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0039	0.0321	0.3121
Brugia malayi	Peptidase family M1 containing protein	0.0039	0.0321	0.0716
Trichomonas vaginalis	esterase, putative	0.0073	0.0795	0.104
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0105	0.0064
Giardia lamblia	Kinase, CMGC MAPK	0.005	0.0474	0.0597
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0039	0.0321	0.0385
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.0024	0.0105	0.0064
Loa Loa (eye worm)	TATA binding protein associated factor	0.0039	0.0321	0.028
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0039	0.0321	0.3121
Echinococcus multilocularis	chromobox protein 1	0.0057	0.0565	0.0526
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0039	0.0321	0.028
Brugia malayi	Bromodomain containing protein	0.0024	0.0107	0.0239
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0084	0.0043
Echinococcus granulosus	peregrin	0.0024	0.0107	0.0066
Mycobacterium ulcerans	beta-lactamase	0.0073	0.0795	0.1718
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0542	0.7294	1
Trichomonas vaginalis	chromobox protein, putative	0.0057	0.0565	0.0722
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.0474	0.0597
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0134	0.1636	0.3654
Mycobacterium leprae	Probable lipase LipE	0.0073	0.0795	0.2064
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0084	0.0043
Trichomonas vaginalis	glucosylceramidase, putative	0.021	0.2696	0.366
Toxoplasma gondii	aminopeptidase N protein	0.0039	0.0321	0.3121
Schistosoma mansoni	BC026374 protein (S09 family)	0.0022	0.0084	0.0043
Brugia malayi	Carboxylesterase family protein	0.0022	0.0084	0.0188
Mycobacterium tuberculosis	Probable lipase LipE	0.0073	0.0795	0.1209
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0107	0.0066
Loa Loa (eye worm)	acetylcholinesterase 1	0.0131	0.1593	0.1558
Trichomonas vaginalis	conserved hypothetical protein	0.0023	0.009	0.0067
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0039	0.0321	0.3703
Schistosoma mansoni	aminopeptidase A (M01 family)	0.0039	0.0321	0.028
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0022	0.0084	0.0043
Loa Loa (eye worm)	jmjC domain-containing protein	0.0049	0.0458	0.0418
Treponema pallidum	fructose-bisphosphate aldolase	0.0542	0.7294	0.5
Schistosoma mansoni	kinesin eg-5	0.0056	0.0556	0.0517
Schistosoma mansoni	hypothetical protein	0.0317	0.418	0.4156
Onchocerca volvulus	Alhambra homolog	0.0024	0.0107	0.0141
Trichomonas vaginalis	D-aminoacylase, putative	0.0073	0.0795	0.104
Trichomonas vaginalis	glucosylceramidase, putative	0.0145	0.1795	0.2419
Schistosoma mansoni	chromobox protein	0.0057	0.0565	0.0526
Brugia malayi	Heterochromatin protein 1	0.0057	0.0565	0.1262
Trichomonas vaginalis	glucosylceramidase, putative	0.021	0.2696	0.366
Onchocerca volvulus		0.0025	0.0124	0.0244
Loa Loa (eye worm)	peptidase family M1 containing protein	0.0039	0.0321	0.028
Echinococcus multilocularis	acetylcholinesterase	0.0131	0.1593	0.1558
Echinococcus multilocularis	acetylcholinesterase	0.0131	0.1593	0.1558
Echinococcus granulosus	mitogen activated protein kinase 3	0.005	0.0474	0.0435
Trypanosoma brucei	protein kinase, putative	0.005	0.0474	0.5739
Trypanosoma brucei	aminopeptidase, putative	0.0039	0.0321	0.3703
Echinococcus granulosus	acetylcholinesterase	0.0131	0.1593	0.1558
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.005	0.0474	0.5739
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.005	0.0474	0.5739
Trichomonas vaginalis	glucosylceramidase, putative	0.0145	0.1795	0.2419
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0437	0.0397
Echinococcus granulosus	mitogen activated protein kinase	0.005	0.0474	0.0435
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0041	0.0092
Echinococcus granulosus	beta LACTamase domain containing family member	0.0073	0.0795	0.0757
Mycobacterium tuberculosis	Conserved protein	0.0073	0.0795	0.1209
Plasmodium falciparum	phd finger protein, putative	0.0024	0.0107	0.0039
Leishmania major	puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0039	0.0321	0.3703
Trichomonas vaginalis	chromobox protein, putative	0.0034	0.0252	0.0291
Trichomonas vaginalis	glucosylceramidase, putative	0.0138	0.1692	0.2276
Echinococcus granulosus	chromobox protein 1	0.0057	0.0565	0.0526
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0022	0.0084	0.0059
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0024	0.0107	0.0066
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0032	0.0219	0.0837
Brugia malayi	beta-lactamase family protein	0.0073	0.0795	0.1777
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0084	0.0043
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0105	0.0064
Trypanosoma cruzi	aminopeptidase, putative	0.0039	0.0321	0.3703
Loa Loa (eye worm)	hypothetical protein	0.0131	0.1593	0.1558
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0122	0.0375
Schistosoma mansoni	chromobox protein	0.0057	0.0565	0.0526
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0073	0.0795	0.1209
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0022	0.0084	0.0043
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.005	0.0474	0.5345
Onchocerca volvulus		0.0073	0.0795	0.4423
Plasmodium vivax	hypothetical protein, conserved	0.0024	0.0107	0.0026
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0321	0.028
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0542	0.7294	1
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.0474	0.0597
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0084	0.0043
Trichomonas vaginalis	glucosylceramidase, putative	0.021	0.2696	0.366
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0542	0.7294	1
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0335	0.4431	1
Echinococcus multilocularis		0.0024	0.0105	0.0064
Toxoplasma gondii	PHD-finger domain-containing protein	0.0024	0.0107	0.0026
Brugia malayi	jmjC domain containing protein	0.0029	0.0176	0.0394
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.0312	0.4103	0.6509
Trichomonas vaginalis	glucosylceramidase, putative	0.0138	0.1692	0.2276
Loa Loa (eye worm)	carboxylesterase	0.0022	0.0084	0.0043
Onchocerca volvulus		0.0073	0.0795	0.4423
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0437	0.0397
Trichomonas vaginalis	penicillin-binding protein, putative	0.0073	0.0795	0.104
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0073	0.0795	0.0757
Brugia malayi	hypothetical protein	0.0039	0.0321	0.0716

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 1.3 uM	Compound was evaluated for anti-platelet activity by measuring its inhibitory effect on human platelet rich plasma (PRP) aggregated with U-46,619.	ChEMBL.	No reference
IC50 (functional)	= 1.3 uM	Compound was evaluated for anti-platelet activity by measuring its inhibitory effect on human platelet rich plasma (PRP) aggregated with U-46,619.	ChEMBL.	No reference
ID50 (functional)	= 11 ug kg-1	Compound was evaluated in vivo for inhibition of U 46619 induced increase in tracheal pressure of guinea pig.	ChEMBL.	No reference
Kd (functional)	= 9.5	Antagonistic activity against TP-receptor by inhibition of U 46619-induced contraction of isolated guinea pig trachea	ChEMBL.	No reference
pA2 (functional)	= 9.5	Antagonistic activity against TP-receptor by inhibition of U 46619-induced contraction of isolated guinea pig trachea	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23

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: CHEMBL263442
PubChem: 10367276

Bibliographic References

No literature references available for this target.

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Detailed information for compound 205492