TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 354.396 | Formula: C21H22O5
H donors: 1 H acceptors: 3 LogP: 4.29 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Oc1ccc(cc1OC(C)C)/C=C/C(=O)O)CCc1ccccc1
InChi: 1S/C21H22O5/c1-15(2)25-19-14-17(9-12-20(22)23)8-11-18(19)26-21(24)13-10-16-6-4-3-5-7-16/h3-9,11-12,14-15H,10,13H2,1-2H3,(H,22,23)/b12-9+
InChiKey: GUCGAYRBWZTVFB-FMIVXFBMSA-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	aldo-keto reductase family 1, member C3	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
Leishmania major	aldo-keto reductase-like protein	aldo-keto reductase family 1, member C3	323 aa	325 aa	34.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.083	0.9902	1
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.007	0.0041	0.0082
Brugia malayi	GnHR receptor homolog	0.083	0.9902	1
Onchocerca volvulus		0.083	0.9902	1
Schistosoma mansoni	neuropeptide receptor	0.083	0.9902	0.9902
Echinococcus granulosus	neuropeptides capa receptor	0.083	0.9902	0.9902
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0173	0.1378	0.7154
Loa Loa (eye worm)	hypothetical protein	0.083	0.9902	1
Loa Loa (eye worm)	hypothetical protein	0.083	0.9902	1
Brugia malayi	sulfakinin receptor protein	0.083	0.9902	1
Brugia malayi	RE15519p	0.083	0.9902	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.083	0.9902	0.9902
Brugia malayi	G-protein coupled receptor	0.083	0.9902	1
Giardia lamblia	GTOR	0.0214	0.191	0.9047
Onchocerca volvulus		0.083	0.9902	1
Loa Loa (eye worm)	hypothetical protein	0.083	0.9902	1
Entamoeba histolytica	hypothetical protein	0.0362	0.3827	0.7652
Loa Loa (eye worm)	hypothetical protein	0.083	0.9902	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0144	0.0994	0.1993
Echinococcus granulosus	orexin receptor type 2	0.083	0.9902	0.9902
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0122	0.0709	0.1422
Trichomonas vaginalis	PIKK family atypical protein kinase	0.008	0.0175	0.0351
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0148	0.1051	0.2106
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0451	0.4989	1
Brugia malayi	G-protein coupled receptor	0.083	0.9902	1
Loa Loa (eye worm)	hypothetical protein	0.083	0.9902	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0133	0.086	0.1723
Echinococcus multilocularis	serotonin receptor	0.083	0.9902	0.9902
Loa Loa (eye worm)	hypothetical protein	0.083	0.9902	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.083	0.9902	0.9902
Brugia malayi	larval opioid receptor	0.083	0.9902	1
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0214	0.191	1
Schistosoma mansoni	chromobox protein	0.0078	0.0142	0.0101
Trichomonas vaginalis	chromobox protein, putative	0.0078	0.0142	0.0284
Echinococcus multilocularis	rhodopsin orphan GPCR	0.083	0.9902	0.9902
Echinococcus granulosus	g protein coupled receptor	0.083	0.9902	0.9902
Loa Loa (eye worm)	hypothetical protein	0.083	0.9902	1
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0451	0.4989	1
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.083	0.9902	0.9902
Brugia malayi	hypothetical protein	0.083	0.9902	1
Echinococcus multilocularis	neuropeptide s receptor	0.083	0.9902	0.9902
Brugia malayi	putative neuropeptide receptor NPR1	0.083	0.9902	1
Echinococcus granulosus	biogenic amine 5HT receptor	0.083	0.9902	0.9902
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.083	0.9902	0.9902
Brugia malayi	neuropeptide F receptor	0.083	0.9902	1
Echinococcus granulosus	neuropeptide Y receptor	0.083	0.9902	0.9902
Trichomonas vaginalis	PIKK family atypical protein kinase	0.008	0.0175	0.0351
Loa Loa (eye worm)	hypothetical protein	0.083	0.9902	1
Loa Loa (eye worm)	hypothetical protein	0.0156	0.1151	0.1125
Echinococcus granulosus	allatostatin A receptor	0.083	0.9902	0.9902
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.083	0.9902	0.9902
Brugia malayi	Dopamine receptor	0.083	0.9902	1
Loa Loa (eye worm)	hypothetical protein	0.083	0.9902	1
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.083	0.9902	0.9902
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.083	0.9902	1
Leishmania major	phosphatidylinositol 3-kinase, putative	0.008	0.0175	0.0719
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.083	0.9902	0.9902
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0163	0.1241	0.2488
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.083	0.9902	0.9902
Onchocerca volvulus		0.083	0.9902	1
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.083	0.9902	1
Schistosoma mansoni	myosin xvIII	0.083	0.9902	0.9902
Loa Loa (eye worm)	hypothetical protein	0.083	0.9902	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.016	0.1203	0.2411
Onchocerca volvulus		0.083	0.9902	1
Schistosoma mansoni	neuropeptide receptor	0.083	0.9902	0.9902
Echinococcus granulosus	neuropeptide s receptor	0.083	0.9902	0.9902
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0163	0.1241	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.008	0.0175	0.0351
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0451	0.4989	1
Onchocerca volvulus		0.083	0.9902	1
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0214	0.191	0.3778
Echinococcus multilocularis	somatostatin receptor	0.083	0.9902	0.9902
Schistosoma mansoni	neuropeptide F-like receptor	0.083	0.9902	0.9902
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0837	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0121	0.0707	0.1417
Echinococcus multilocularis	rhodopsin orphan GPCR	0.083	0.9902	0.9902
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0132	0.0844	0.1692
Echinococcus multilocularis	rhodopsin orphan GPCR	0.083	0.9902	0.9902
Echinococcus granulosus	neuropeptide receptor A26	0.083	0.9902	0.9902
Echinococcus granulosus	hypothetical protein	0.083	0.9902	0.9902
Schistosoma mansoni	biogenic amine receptor	0.083	0.9902	0.9902
Echinococcus multilocularis	sex peptide receptor	0.083	0.9902	0.9902
Loa Loa (eye worm)	hypothetical protein	0.083	0.9902	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0163	0.1241	0.2488
Loa Loa (eye worm)	hypothetical protein	0.083	0.9902	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.083	0.9902	0.9902
Echinococcus multilocularis	neuropeptide receptor A26	0.083	0.9902	0.9902
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.083	0.9902	0.9902
Loa Loa (eye worm)	hypothetical protein	0.083	0.9902	1
Brugia malayi	MH2 domain containing protein	0.0254	0.2428	0.242
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.083	0.9902	0.9902
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.083	0.9902	0.9902
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.008	0.0175	0.0136
Loa Loa (eye worm)	hypothetical protein	0.083	0.9902	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0133	0.086	0.1723
Loa Loa (eye worm)	neuropeptide F receptor	0.083	0.9902	1
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.083	0.9902	0.9902
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.083	0.9902	0.9902
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0158	0.1187	0.1162
Loa Loa (eye worm)	hypothetical protein	0.083	0.9902	1
Loa Loa (eye worm)	hypothetical protein	0.0154	0.1136	0.111
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0214	0.191	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0173	0.1376	0.2758
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0121	0.0707	0.1417
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0122	0.0709	0.1422
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.016	0.1203	0.6215
Schistosoma mansoni	biogenic amine (5HT) receptor	0.083	0.9902	0.9902
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.016	0.1203	0.2348
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.008	0.0175	0.0719
Schistosoma mansoni	alpha-1 adrenergic receptor	0.083	0.9902	0.9902
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.083	0.9902	0.9902
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0214	0.191	0.3778
Echinococcus multilocularis	neuropeptide receptor	0.083	0.9902	0.9902
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0163	0.1241	0.2488
Schistosoma mansoni	neuropeptide F-like receptor	0.083	0.9902	0.9902
Onchocerca volvulus		0.083	0.9902	1
Onchocerca volvulus		0.083	0.9902	1
Echinococcus multilocularis	neuropeptide receptor	0.083	0.9902	0.9902
Onchocerca volvulus		0.083	0.9902	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0214	0.191	0.1896
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.083	0.9902	0.9902
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.083	0.9902	0.9902
Brugia malayi	G protein-coupled receptor	0.083	0.9902	1
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.083	0.9902	0.9902
Loa Loa (eye worm)	hypothetical protein	0.083	0.9902	1
Trichomonas vaginalis	chromobox protein, putative	0.0078	0.0142	0.0284
Schistosoma mansoni	opsin-like receptor	0.083	0.9902	0.9902
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.008	0.0175	0.0135
Schistosoma mansoni	hypothetical protein	0.083	0.9902	0.9902
Schistosoma mansoni	amine GPCR	0.083	0.9902	0.9902
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0158	0.1187	0.1162
Loa Loa (eye worm)	hypothetical protein	0.083	0.9902	1
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0214	0.191	0.1877
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0425	0.4652	0.9319
Loa Loa (eye worm)	hypothetical protein	0.083	0.9902	1
Onchocerca volvulus		0.083	0.9902	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.083	0.9902	0.9902
Onchocerca volvulus		0.083	0.9902	1
Brugia malayi	Tachykinin-like peptides receptor 99D	0.083	0.9902	1
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0207	0.1822	0.3601
Loa Loa (eye worm)	hypothetical protein	0.083	0.9902	1
Schistosoma mansoni	amine GPCR	0.083	0.9902	0.9902
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.007	0.0041	0.5
Schistosoma mansoni	neuropeptide f receptor 76f	0.083	0.9902	0.9902
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0134	0.0866	0.1668
Loa Loa (eye worm)	phosphatidylinositol 3	0.008	0.0175	0.0136
Loa Loa (eye worm)	hypothetical protein	0.083	0.9902	1
Echinococcus multilocularis	g protein coupled receptor	0.083	0.9902	0.9902
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.083	0.9902	0.9902
Loa Loa (eye worm)	hypothetical protein	0.0158	0.1187	0.1162
Schistosoma mansoni	hypothetical protein	0.083	0.9902	0.9902
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0163	0.1241	0.2488
Loa Loa (eye worm)	hypothetical protein	0.083	0.9902	1
Echinococcus granulosus	neuropeptide receptor	0.083	0.9902	0.9902
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.083	0.9902	0.9902
Brugia malayi	Dopamine receptor protein 1	0.083	0.9902	1
Schistosoma mansoni	hypothetical protein	0.0108	0.0536	0.0498
Loa Loa (eye worm)	TYRA-2 protein	0.083	0.9902	1
Echinococcus multilocularis	orexin receptor type 2	0.083	0.9902	0.9902
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0225	0.2045	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0108	0.0536	0.0502
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.083	0.9902	0.9902
Echinococcus granulosus	sex peptide receptor	0.083	0.9902	0.9902
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.016	0.1203	0.1167
Schistosoma mansoni	histamine h1 receptor	0.083	0.9902	0.9902
Echinococcus multilocularis	chromobox protein 1	0.0078	0.0142	0.0101
Schistosoma mansoni	biogenic amine (5HT) receptor	0.083	0.9902	0.9902
Brugia malayi	neuropeptide F receptor	0.083	0.9902	1
Brugia malayi	hypothetical protein	0.083	0.9902	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.083	0.9902	0.9902
Loa Loa (eye worm)	hypothetical protein	0.083	0.9902	1
Brugia malayi	hypothetical protein	0.0156	0.1151	0.1125
Echinococcus granulosus	7tm_1 domain containing protein	0.083	0.9902	0.9902
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0097	0.0384	0.1836
Echinococcus multilocularis	rhodopsin orphan GPCR	0.083	0.9902	0.9902
Echinococcus granulosus	g protein coupled receptor	0.083	0.9902	0.9902
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0163	0.1241	0.2488
Brugia malayi	hypothetical protein	0.083	0.9902	1
Brugia malayi	Dopamine receptor protein 2	0.083	0.9902	1
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0536	0.0502
Schistosoma mansoni	hypothetical protein	0.083	0.9902	0.9902
Loa Loa (eye worm)	hypothetical protein	0.083	0.9902	1
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.083	0.9902	0.9902
Echinococcus multilocularis	G protein coupled receptor 139	0.083	0.9902	0.9902
Echinococcus multilocularis	g-protein coupled receptor	0.083	0.9902	0.9902
Loa Loa (eye worm)	MH2 domain-containing protein	0.0254	0.2428	0.242
Schistosoma mansoni	amine GPCR	0.083	0.9902	0.9902
Schistosoma mansoni	neuropeptide receptor	0.083	0.9902	0.9902
Loa Loa (eye worm)	hypothetical protein	0.083	0.9902	1
Brugia malayi	Heterochromatin protein 1	0.0078	0.0142	0.0102
Loa Loa (eye worm)	hypothetical protein	0.0297	0.2984	0.2985
Loa Loa (eye worm)	hypothetical protein	0.083	0.9902	1
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.083	0.9902	0.9902
Loa Loa (eye worm)	hypothetical protein	0.083	0.9902	1
Echinococcus multilocularis	allatostatin A receptor	0.083	0.9902	0.9902
Loa Loa (eye worm)	phosphatidylinositol 3	0.0134	0.0866	0.0837
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.083	0.9902	0.9902
Loa Loa (eye worm)	hypothetical protein	0.083	0.9902	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0297	0.2984	0.2985
Loa Loa (eye worm)	G-protein coupled receptor	0.083	0.9902	1
Loa Loa (eye worm)	hypothetical protein	0.083	0.9902	1
Loa Loa (eye worm)	hypothetical protein	0.083	0.9902	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.007	0.0041	0.0082
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0173	0.1376	0.2758
Schistosoma mansoni	adenoreceptor	0.083	0.9902	0.9902
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.083	0.9902	0.9902
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.083	0.9902	0.9902
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0214	0.191	0.1877
Echinococcus granulosus	fmrfamide receptor	0.083	0.9902	0.9902
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0173	0.1376	0.2758
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0122	0.0709	0.1422
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.083	0.9902	0.9902
Echinococcus multilocularis	rhodopsin orphan GPCR	0.083	0.9902	0.9902
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.083	0.9902	0.9902
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.083	0.9902	1
Loa Loa (eye worm)	hypothetical protein	0.083	0.9902	1
Brugia malayi	G protein-coupled receptor F59B2.13	0.083	0.9902	1
Loa Loa (eye worm)	hypothetical protein	0.083	0.9902	1
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0297	0.2984	0.2956
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0297	0.2984	0.2956
Echinococcus multilocularis	g protein coupled receptor	0.083	0.9902	0.9902
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0451	0.4989	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0173	0.1376	0.2758
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.007	0.0041	0.0082
Echinococcus multilocularis	neuropeptide FF receptor 2	0.083	0.9902	0.9902
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.007	0.0041	0.5
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0214	0.191	0.1877
Echinococcus granulosus	biogenic amine 5HT receptor	0.083	0.9902	0.9902
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.083	0.9902	0.9902
Schistosoma mansoni	amine GPCR	0.083	0.9902	0.9902
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.083	0.9902	1
Onchocerca volvulus		0.083	0.9902	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0158	0.1187	0.1162
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0386	0.4142	0.4159
Echinococcus multilocularis	neuropeptide Y receptor	0.083	0.9902	0.9902
Trypanosoma cruzi	target of rapamycin kinase 3	0.0173	0.1378	0.2703
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0837	1	1
Echinococcus granulosus	alpha 1A adrenergic receptor	0.083	0.9902	0.9902
Echinococcus granulosus	rhodopsin orphan GPCR	0.083	0.9902	0.9902
Loa Loa (eye worm)	hypothetical protein	0.083	0.9902	1
Schistosoma mansoni	amine GPCR	0.083	0.9902	0.9902
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0214	0.191	0.3829
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0122	0.0709	0.1422
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.008	0.0175	0.0135
Mycobacterium leprae	SECRETED ANTIGEN 85-C FBPC (85C) (ANTIGEN 85 COMPLEX C) (AG58C) (MYCOLYL TRANSFERASE 85C) (FIBRONECTIN-BINDING PROTEIN C)	0.0697	0.8183	0.5
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.008	0.0175	0.0719
Loa Loa (eye worm)	hypothetical protein	0.083	0.9902	1
Loa Loa (eye worm)	hypothetical protein	0.083	0.9902	1
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.008	0.0175	0.0135
Schistosoma mansoni	neuropeptide receptor	0.083	0.9902	0.9902
Echinococcus granulosus	tm gpcr rhodopsin	0.083	0.9902	0.9902
Echinococcus granulosus	tachykinin peptides receptor 99D	0.083	0.9902	0.9902
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.083	0.9902	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.083	0.9902	0.9902
Echinococcus multilocularis	neuropeptide Y receptor	0.083	0.9902	0.9902
Brugia malayi	hypothetical protein	0.083	0.9902	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.083	0.9902	0.9902
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0173	0.1378	0.7154
Schistosoma mansoni	biogenic amine receptor	0.083	0.9902	0.9902
Brugia malayi	Serotonin receptor	0.083	0.9902	1
Brugia malayi	putative neuropeptide receptor	0.083	0.9902	1
Echinococcus granulosus	chromobox protein 1	0.0078	0.0142	0.0101
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.008	0.0175	0.0719
Onchocerca volvulus		0.083	0.9902	1
Schistosoma mansoni	opsin-like receptor	0.083	0.9902	0.9902
Echinococcus granulosus	G protein coupled receptor 139	0.083	0.9902	0.9902
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.083	0.9902	0.9902
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.083	0.9902	0.9902
Echinococcus granulosus	neuropeptide receptor	0.083	0.9902	0.9902
Loa Loa (eye worm)	hypothetical protein	0.083	0.9902	1
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.083	0.9902	0.9902
Brugia malayi	hypothetical protein	0.083	0.9902	1
Brugia malayi	Melatonin receptor type 1A	0.083	0.9902	1
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.008	0.0175	0.0272
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0214	0.191	0.3829
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0173	0.1376	0.2758
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.083	0.9902	0.9902
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.083	0.9902	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0748	0.8838	0.8921
Echinococcus granulosus	neuropeptide FF receptor 2	0.083	0.9902	0.9902
Onchocerca volvulus		0.083	0.9902	1
Mycobacterium tuberculosis	Secreted antigen 85-C FbpC (85C) (antigen 85 complex C) (AG58C) (mycolyl transferase 85C) (fibronectin-binding protein C)	0.0697	0.8183	1
Loa Loa (eye worm)	hypothetical protein	0.083	0.9902	1
Mycobacterium ulcerans	secreted antigen 85-C FbpC	0.0697	0.8183	0.5
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.083	0.9902	0.9902
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0133	0.086	0.1723
Loa Loa (eye worm)	hypothetical protein	0.083	0.9902	1
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.016	0.1203	0.2411
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.083	0.9902	0.9902
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.083	0.9902	0.9902
Echinococcus granulosus	g-protein coupled receptor	0.083	0.9902	0.9902
Echinococcus granulosus	g protein coupled receptor	0.083	0.9902	0.9902
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0214	0.191	0.3829
Brugia malayi	hypothetical protein	0.083	0.9902	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.083	0.9902	0.9902
Onchocerca volvulus		0.083	0.9902	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.083	0.9902	0.9902
Echinococcus granulosus	dro:myosuppressin receptor	0.083	0.9902	0.9902
Loa Loa (eye worm)	neuropeptide F receptor	0.083	0.9902	1
Brugia malayi	ORL1-like opioid receptor	0.083	0.9902	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0214	0.191	0.1896
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0362	0.3827	0.7652
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0185	0.1528	0.3064
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.083	0.9902	0.9902
Brugia malayi	hypothetical protein	0.083	0.9902	1
Onchocerca volvulus		0.083	0.9902	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.083	0.9902	0.9902
Echinococcus multilocularis	neuropeptides capa receptor	0.083	0.9902	0.9902
Echinococcus multilocularis	g protein coupled receptor	0.083	0.9902	0.9902
Onchocerca volvulus		0.083	0.9902	1
Echinococcus multilocularis	neuropeptides capa receptor	0.083	0.9902	0.9902
Loa Loa (eye worm)	hypothetical protein	0.083	0.9902	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.016	0.1203	0.2411
Echinococcus multilocularis	serotonin receptor	0.083	0.9902	0.9902
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0214	0.191	0.3778
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.083	0.9902	0.9902
Brugia malayi	hypothetical protein	0.083	0.9902	1
Brugia malayi	AKH receptor	0.083	0.9902	1
Schistosoma mansoni	growth hormone secretagogue receptor	0.083	0.9902	0.9902
Schistosoma mansoni	hypothetical protein	0.083	0.9902	0.9902
Echinococcus granulosus	neuropeptides capa receptor	0.083	0.9902	0.9902
Onchocerca volvulus	Neuropeptide F receptor homolog	0.083	0.9902	1
Loa Loa (eye worm)	hypothetical protein	0.083	0.9902	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0163	0.1241	0.2488
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.083	0.9902	1
Loa Loa (eye worm)	hypothetical protein	0.083	0.9902	1
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0451	0.4989	1
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.016	0.1203	0.2348
Loa Loa (eye worm)	G-protein coupled receptor	0.083	0.9902	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0254	0.2428	0.242
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0451	0.4989	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0121	0.0707	0.1417
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.016	0.1203	0.1178
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0214	0.191	1
Echinococcus granulosus	peptide allatostatin:somatostatin	0.083	0.9902	0.9902
Echinococcus granulosus	neuropeptide Y receptor	0.083	0.9902	0.9902
Trichomonas vaginalis	PIKK family atypical protein kinase	0.008	0.0175	0.0351
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.083	0.9902	0.9902
Trichomonas vaginalis	PIKK family atypical protein kinase	0.008	0.0175	0.0351
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0163	0.1241	0.2488
Loa Loa (eye worm)	hypothetical protein	0.083	0.9902	1
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.083	0.9902	0.9902
Echinococcus granulosus	somatostatin receptor	0.083	0.9902	0.9902
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.083	0.9902	1
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0214	0.191	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0132	0.0844	0.1692
Loa Loa (eye worm)	hypothetical protein	0.083	0.9902	1
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0214	0.191	0.3778
Loa Loa (eye worm)	hypothetical protein	0.083	0.9902	1
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0108	0.0534	0.264
Brugia malayi	Serotonin receptor	0.083	0.9902	1
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.008	0.0175	0.0272
Echinococcus multilocularis	fmrfamide receptor	0.083	0.9902	0.9902
Loa Loa (eye worm)	hypothetical protein	0.083	0.9902	1
Loa Loa (eye worm)	hypothetical protein	0.083	0.9902	1
Loa Loa (eye worm)	melatonin receptor type 1A	0.083	0.9902	1
Echinococcus multilocularis	G-protein coupled receptor, putative	0.083	0.9902	0.9902
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.083	0.9902	0.9902
Echinococcus granulosus	chromobox protein 1	0.0078	0.0142	0.0101
Schistosoma mansoni	chromobox protein	0.0078	0.0142	0.0101
Echinococcus granulosus	tm gpcr rhodopsin	0.083	0.9902	0.9902
Echinococcus granulosus	rhodopsin orphan GPCR	0.083	0.9902	0.9902
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.083	0.9902	0.9902
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.083	0.9902	1
Loa Loa (eye worm)	heterochromatin protein 1	0.0078	0.0142	0.0102
Brugia malayi	hypothetical protein	0.083	0.9902	1
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.083	0.9902	0.9902
Onchocerca volvulus		0.083	0.9902	1
Brugia malayi	follicle stimulating hormone receptor	0.083	0.9902	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0314	0.3207	0.6429
Echinococcus granulosus	7TM GPCR rhodopsin	0.083	0.9902	0.9902
Echinococcus multilocularis	chromobox protein 1	0.0078	0.0142	0.0101
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.016	0.1203	0.2348
Echinococcus multilocularis	fmrfamide receptor	0.083	0.9902	0.9902
Echinococcus multilocularis	dro:myosuppressin receptor	0.083	0.9902	0.9902
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.083	0.9902	1
Brugia malayi	hypothetical protein	0.083	0.9902	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0314	0.3207	0.6429
Echinococcus granulosus	tm gpcr rhodopsin	0.083	0.9902	0.9902
Schistosoma mansoni	opsin-like receptor	0.083	0.9902	0.9902
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0451	0.4989	0.5018
Schistosoma mansoni	biogenic amine receptor	0.083	0.9902	0.9902
Echinococcus granulosus	serotonin receptor	0.083	0.9902	0.9902

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 3.1 uM	Inhibition of AKR1C3 (unknown origin) assessed as dehydrogenase activity of enzyme by NADPH fluorescence assay	ChEMBL.	25182963

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: CHEMBL3337699

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 933485