TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 203.28 | Formula: C13H17NO+
H donors: 1 H acceptors: 2 LogP: 1.82 Rotable bonds: 0
Rule of 5 violations (Lipinski): 1
SMILES: OC1CCC2C(C1)C1=CC=C[N+]=C1CC2
InChi: 1S/C13H17NO/c15-10-5-3-9-4-6-13-11(12(9)8-10)2-1-7-14-13/h1-2,7,9-10,12,15H,3-6,8H2/p+1
InChiKey: IBCCJGHDALNDQW-UHFFFAOYSA-O

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

No curated genes were found associated with this compound

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
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0074	0.1214	0.6814
Loa Loa (eye worm)	hypothetical protein	0.0074	0.1214	0.17
Trichomonas vaginalis	aldo/keto reductase, putative	0.0096	0.1691	1
Loa Loa (eye worm)	oxidoreductase	0.0096	0.1691	0.2368
Echinococcus multilocularis	acetylcholinesterase	0.0201	0.4017	0.5596
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0034	0.0333	0.0141
Echinococcus multilocularis	aldo keto reductase	0.0096	0.1691	0.2319
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0096	0.1691	1
Brugia malayi	PHD-finger family protein	0.0027	0.0171	0.016
Echinococcus multilocularis	tar DNA binding protein	0.0071	0.1139	0.1541
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0034	0.0333	0.1437
Trypanosoma cruzi	hypothetical protein, conserved	0.0074	0.1214	0.6993
Trypanosoma brucei	importin beta-1 subunit, putative	0.0032	0.0292	0.1178
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0024	0.0115	0.0099
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0028	0.0194	0.0272
Echinococcus granulosus	aldo keto reductase family 1, member B4	0.0028	0.0194	0.021
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0034	0.0333	0.0405
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0096	0.1691	0.2319
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0074	0.1214	0.104
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0034	0.0333	0.0405
Onchocerca volvulus		0.0034	0.0333	0.0926
Echinococcus multilocularis	aldo keto reductase	0.0096	0.1691	0.2319
Echinococcus granulosus	beta LACTamase domain containing family member	0.0074	0.1214	0.1647
Entamoeba histolytica	aldose reductase, putative	0.0096	0.1691	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0074	0.1214	0.268
Onchocerca volvulus		0.0096	0.1691	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0096	0.1691	1
Schistosoma mansoni	gliotactin	0.0034	0.0333	0.0405
Trypanosoma cruzi	aldo-keto reductase	0.0096	0.1691	1
Echinococcus multilocularis	aldo keto reductase	0.0096	0.1691	0.2319
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0096	0.1691	1
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0589	0.0824
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0333	0.0466
Trypanosoma brucei	aldo/keto reductase, putative	0.0028	0.0194	0.0563
Onchocerca volvulus		0.0034	0.0333	0.0926
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0034	0.0333	0.0141
Toxoplasma gondii	HEAT repeat-containing protein	0.0032	0.0292	0.1178
Mycobacterium leprae	Conserved hypothetical protein	0.0068	0.1081	0.5922
Mycobacterium ulcerans	oxidoreductase	0.0096	0.1691	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0096	0.1691	1
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0034	0.0333	0.0405
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0096	0.1691	1
Schistosoma mansoni	pol-related	0.0096	0.1691	0.2319
Echinococcus multilocularis	carboxylesterase 5A	0.0201	0.4017	0.5596
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0028	0.0194	0.0563
Brugia malayi	Carboxylesterase family protein	0.0034	0.0333	0.0551
Schistosoma mansoni	potassium channel beta	0.0028	0.0194	0.021
Echinococcus granulosus	snurportin 1	0.0343	0.7142	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0096	0.1691	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0096	0.1691	0.2319
Trichomonas vaginalis	D-aminoacylase, putative	0.0074	0.1214	0.6993
Loa Loa (eye worm)	carboxylesterase	0.0034	0.0333	0.0466
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0096	0.1691	0.2319
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0096	0.1691	1
Loa Loa (eye worm)	hypothetical protein	0.0074	0.1214	0.17
Trichomonas vaginalis	D-aminoacylase, putative	0.0074	0.1214	0.6993
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0026	0.0158	0.0334
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0074	0.1214	0.104
Trichomonas vaginalis	alcohol dehydrogenase, putative	0.0028	0.0194	0.0563
Mycobacterium ulcerans	beta-lactamase	0.0074	0.1214	0.6814
Echinococcus granulosus	BC026374 protein S09 family	0.0034	0.0333	0.0405
Echinococcus multilocularis	aldehyde reductase	0.0068	0.1081	0.1459
Leishmania major	hypothetical protein, conserved	0.0074	0.1214	0.6993
Plasmodium vivax	hypothetical protein, conserved	0.0074	0.1214	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0028	0.0194	0.0563
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0064	0.0991	0.1333
Mycobacterium tuberculosis	Probable oxidoreductase	0.0096	0.1691	0.1527
Brugia malayi	RNA, U transporter 1	0.0091	0.1597	0.3605
Echinococcus multilocularis	para nitrobenzyl esterase	0.0034	0.0333	0.0405
Echinococcus granulosus	aldehyde reductase	0.0068	0.1081	0.1459
Loa Loa (eye worm)	hypothetical protein	0.0201	0.4017	0.5624
Toxoplasma gondii	aldo-keto reductase	0.0028	0.0194	0.0563
Onchocerca volvulus		0.0034	0.0333	0.0926
Trichomonas vaginalis	aldo-keto reductase, putative	0.0096	0.1691	1
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0292	0.0408
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0096	0.1691	0.2319
Schistosoma mansoni	aldo-keto reductase	0.0096	0.1691	0.2319
Plasmodium vivax	oxidoreductase, aldo/keto reductase domain containing protein	0.0028	0.0194	0.0805
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.1139	0.1541
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0034	0.0333	0.0405
Trichomonas vaginalis	aldo-keto reductase, putative	0.0028	0.0194	0.0563
Brugia malayi	Carboxylesterase family protein	0.0201	0.4017	0.945
Schistosoma mansoni	hypothetical protein	0.0022	0.007	0.0035
Trichomonas vaginalis	aldo-keto reductase, putative	0.0096	0.1691	1
Loa Loa (eye worm)	RNA binding protein	0.0071	0.1139	0.1595
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0096	0.1691	0.2319
Trichomonas vaginalis	penicillin-binding protein, putative	0.0074	0.1214	0.6993
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0096	0.1691	0.2319
Echinococcus granulosus	aldo keto reductase	0.0096	0.1691	0.2319
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0096	0.1693	0.2322
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0096	0.1691	0.2319
Echinococcus granulosus	acetylcholinesterase	0.0201	0.4017	0.5596
Trichomonas vaginalis	D-aminoacylase, putative	0.0074	0.1214	0.6993
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.1139	0.1541
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0026	0.0158	0.0334
Mycobacterium ulcerans	lipase LipD	0.0074	0.1214	0.6814
Entamoeba histolytica	aldose reductase, putative	0.0096	0.1691	1
Trypanosoma brucei	aldo-keto reductase, putative	0.0096	0.1691	1
Brugia malayi	beta-lactamase family protein	0.0074	0.1214	0.268
Trichomonas vaginalis	aldo-keto reductase, putative	0.0096	0.1691	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0096	0.1691	0.3832
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0024	0.0115	0.0099
Onchocerca volvulus		0.0096	0.1691	1
Echinococcus granulosus	acetylcholinesterase	0.0201	0.4017	0.5596
Echinococcus granulosus	carboxylesterase 5A	0.0201	0.4017	0.5596
Brugia malayi	NADH-dependent xylose reductase	0.0028	0.0194	0.0216
Toxoplasma gondii	aldose reductase, putative	0.0096	0.1691	1
Loa Loa (eye worm)	oxidoreductase	0.0096	0.1691	0.2368
Trichomonas vaginalis	aldo-keto reductase, putative	0.0096	0.1691	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0333	0.0466
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0064	0.0991	0.1333
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.1139	0.1541
Loa Loa (eye worm)	TAR-binding protein	0.0071	0.1139	0.1595
Echinococcus granulosus	fetal alzheimer antigen falz	0.0024	0.0115	0.0099
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0096	0.1693	0.2322
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0096	0.1691	0.3832
Brugia malayi	glutamate-cysteine ligase modifier subunit	0.0028	0.0194	0.0216
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0096	0.1691	0.2319
Toxoplasma gondii	aldo/keto reductase family oxidoreductase	0.0028	0.0194	0.0563
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0038	0.0431	0.0543
Schistosoma mansoni	ran	0.0024	0.0105	0.0084
Mycobacterium tuberculosis	Conserved protein	0.0074	0.1214	0.104
Leishmania major	aldo/keto reductase, putative,aldo/keto reductase family-like protein	0.0028	0.0194	0.0563
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0074	0.1214	0.17
Brugia malayi	hypothetical protein	0.0034	0.0333	0.0551
Echinococcus granulosus	para nitrobenzyl esterase	0.0034	0.0333	0.0405
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0096	0.1691	0.2319
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0034	0.0333	0.0141
Onchocerca volvulus		0.0096	0.1691	1
Trypanosoma cruzi	aldo/keto reductase, putative	0.0096	0.1691	1
Mycobacterium tuberculosis	Probable esterase LipL	0.0074	0.1214	0.104
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0096	0.1691	0.2319
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0096	0.1691	0.2319
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0544	0.0761
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0071	0.1139	0.1595
Schistosoma mansoni	bromodomain containing protein	0.0068	0.1075	0.1452
Onchocerca volvulus		0.0096	0.1691	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0096	0.1691	1
Schistosoma mansoni	hypothetical protein	0.0343	0.7142	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0096	0.1691	0.2319
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0333	0.0466
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0096	0.1691	0.2319
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0096	0.1693	0.2322
Onchocerca volvulus		0.0096	0.1691	1
Loa Loa (eye worm)	oxidoreductase	0.0096	0.1691	0.2368
Brugia malayi	Carboxylesterase family protein	0.0034	0.0333	0.0551
Brugia malayi	Bromodomain containing protein	0.008	0.1351	0.3012
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0096	0.1691	0.3832
Plasmodium falciparum	aldehyde reductase, putative	0.0028	0.0194	0.4777
Trichomonas vaginalis	aldo/keto reductase, putative	0.0096	0.1691	1
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.1139	0.1541
Echinococcus granulosus	aldo keto reductase	0.0096	0.1691	0.2319
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0096	0.1691	0.2319
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0074	0.1214	0.1647
Trypanosoma cruzi	hypothetical protein, conserved	0.0074	0.1214	0.6993
Echinococcus granulosus	hypothetical protein	0.0096	0.1691	0.2319
Loa Loa (eye worm)	hypothetical protein	0.0076	0.1251	0.1751
Leishmania major	importin beta-1 subunit, putative	0.0026	0.0158	0.0334
Mycobacterium ulcerans	carboxylesterase, LipT	0.0034	0.0333	0.0926
Echinococcus multilocularis	importin subunit beta 1	0.0032	0.0292	0.0347
Brugia malayi	beta-lactamase family protein	0.0074	0.1214	0.268
Trypanosoma brucei	importin beta-1 subunit, putative	0.0032	0.0292	0.1178
Loa Loa (eye worm)	carboxylesterase	0.0201	0.4017	0.5624
Mycobacterium tuberculosis	Conserved protein	0.0074	0.1214	0.104
Trichomonas vaginalis	importin beta-1, putative	0.0026	0.0158	0.0334
Mycobacterium ulcerans	hypothetical protein	0.0074	0.1214	0.6814
Trichomonas vaginalis	aldo/keto reductase, putative	0.0096	0.1691	1
Brugia malayi	RNA recognition motif domain containing protein	0.0071	0.1139	0.2499
Mycobacterium tuberculosis	Probable lipase LipE	0.0074	0.1214	0.104
Leishmania major	aldo-keto reductase-like protein	0.0096	0.1691	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0096	0.1693	0.2322
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0333	0.0466
Loa Loa (eye worm)	hypothetical protein	0.0074	0.1214	0.17
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0074	0.1214	0.104
Loa Loa (eye worm)	PHD-finger family protein	0.0022	0.007	0.0098
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0488	0.0683
Loa Loa (eye worm)	beta-lactamase	0.0074	0.1214	0.17
Loa Loa (eye worm)	oxidoreductase	0.0096	0.1691	0.2368
Mycobacterium tuberculosis	Probable lipase LipD	0.0074	0.1214	0.104
Loa Loa (eye worm)	hypothetical protein	0.0074	0.1214	0.17
Trichomonas vaginalis	aldo-keto reductase, putative	0.0096	0.1691	1
Trichomonas vaginalis	spcc417.12 protein, putative	0.0034	0.0333	0.1437
Plasmodium vivax	aldehyde reductase, putative	0.0028	0.0194	0.0805
Brugia malayi	Bromodomain containing protein	0.0041	0.0486	0.0922
Echinococcus multilocularis	acetylcholinesterase	0.0201	0.4017	0.5596
Trichomonas vaginalis	aldo-keto reductase, putative	0.0096	0.1691	1
Schistosoma mansoni	ran	0.0024	0.0105	0.0084
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0333	0.0466
Echinococcus multilocularis	aldo keto reductase	0.0096	0.1691	0.2319
Plasmodium falciparum	importin beta, putative	0.0032	0.0292	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0096	0.1691	0.3832
Trypanosoma brucei	prostaglandin f synthase	0.0096	0.1691	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0096	0.1691	0.2319
Mycobacterium leprae	conserved hypothetical protein	0.0074	0.1214	0.6814
Onchocerca volvulus		0.0034	0.0333	0.0926
Echinococcus granulosus	importin subunit beta 1	0.0032	0.0292	0.0347
Echinococcus granulosus	aldo keto reductase	0.0096	0.1691	0.2319
Echinococcus granulosus	voltage gated potassium channel subunit	0.0028	0.0194	0.021
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.1139	0.1541
Schistosoma mansoni	acetylcholinesterase	0.0034	0.0333	0.0405
Leishmania major	prostaglandin f synthase, putative	0.0096	0.1691	1
Toxoplasma gondii	oxidoreductase, aldo/keto reductase family protein	0.0028	0.0194	0.0563
Brugia malayi	follicle stimulating hormone receptor	0.0211	0.4244	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0096	0.1691	0.2319
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0096	0.1693	0.2322
Mycobacterium leprae	Probable lipase LipE	0.0074	0.1214	0.6814
Mycobacterium tuberculosis	Probable hydrolase	0.0074	0.1214	0.104
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0038	0.0431	0.0543
Echinococcus multilocularis	snurportin 1	0.0343	0.7142	1
Giardia lamblia	Aldose reductase	0.0096	0.1691	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0096	0.1691	0.2319
Onchocerca volvulus		0.0074	0.1214	0.6814
Schistosoma mansoni	aldo-keto reductase	0.0096	0.1691	0.2319
Trypanosoma brucei	hypothetical protein, conserved	0.0074	0.1214	0.6993
Brugia malayi	RNA binding protein	0.0071	0.1139	0.2499
Loa Loa (eye worm)	hypothetical protein	0.0096	0.1691	0.2368
Echinococcus multilocularis	voltage gated potassium channel subunit	0.0028	0.0194	0.021
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0024	0.0105	0.0084
Trichomonas vaginalis	aldo-keto reductase, putative	0.0028	0.0194	0.0563
Schistosoma mansoni	importin beta-1	0.0032	0.0292	0.0347
Mycobacterium ulcerans	esterase/lipase LipP	0.0074	0.1214	0.6814
Entamoeba histolytica	hypothetical protein	0.0026	0.0158	0.0334
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0096	0.1693	0.2322
Loa Loa (eye worm)	acetylcholinesterase 1	0.0201	0.4017	0.5624
Toxoplasma gondii	ABC1 family protein	0.0074	0.1214	0.6993
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0343	0.7142	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0096	0.1691	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0333	0.0466
Loa Loa (eye worm)	hypothetical protein	0.0074	0.1214	0.17
Brugia malayi	Importin beta-1 subunit	0.0032	0.0292	0.0452
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0026	0.0158	0.0334
Onchocerca volvulus		0.0096	0.1691	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0074	0.1214	0.6993
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0096	0.1691	1
Loa Loa (eye worm)	oxidoreductase	0.0096	0.1691	0.2368
Giardia lamblia	Aldose reductase	0.0096	0.1691	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0096	0.1693	0.237
Echinococcus multilocularis	neuroligin	0.0034	0.0333	0.0405
Onchocerca volvulus		0.0074	0.1214	0.6814
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0096	0.1693	0.2322
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0034	0.0333	0.0405
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0074	0.1214	0.1647
Onchocerca volvulus		0.0074	0.1214	0.6814
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0333	0.0466
Plasmodium vivax	importin-beta 2, putative	0.0032	0.0292	0.1685
Loa Loa (eye worm)	carboxylesterase	0.0034	0.0333	0.0466
Echinococcus granulosus	neuroligin	0.0034	0.0333	0.0405
Trypanosoma cruzi	aldo/keto reductase, putative	0.0028	0.0194	0.0563
Brugia malayi	beta-lactamase	0.0074	0.1214	0.268
Brugia malayi	TAR-binding protein	0.0071	0.1139	0.2499
Mycobacterium tuberculosis	Conserved protein	0.0074	0.1214	0.104
Brugia malayi	Carboxylesterase family protein	0.0201	0.4017	0.945
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0201	0.4017	0.5596
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0096	0.1691	0.2319
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0024	0.0105	0.0084
Brugia malayi	Carboxylesterase family protein	0.0034	0.0333	0.0551
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0074	0.1214	0.1647
Schistosoma mansoni	BC026374 protein (S09 family)	0.0034	0.0333	0.0405
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0034	0.0333	0.0405
Entamoeba histolytica	aldose reductase, putative	0.0096	0.1691	1
Trichomonas vaginalis	conserved hypothetical protein	0.0028	0.0194	0.0563
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0211	0.4244	0.5943
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0096	0.1691	0.2319
Loa Loa (eye worm)	hypothetical protein	0.0074	0.1214	0.17
Onchocerca volvulus		0.0034	0.0333	0.0926
Trichomonas vaginalis	esterase, putative	0.0074	0.1214	0.6993
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0096	0.1691	0.2319
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0034	0.0333	0.0405
Echinococcus granulosus	tar DNA binding protein	0.0071	0.1139	0.1541
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0024	0.0105	0.0147
Loa Loa (eye worm)	hypothetical protein	0.0201	0.4017	0.5624
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0096	0.1693	0.3837
Trichomonas vaginalis	aldo-keto reductase, putative	0.0096	0.1691	1
Brugia malayi	Carboxylesterase family protein	0.0034	0.0333	0.0551
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0028	0.0194	0.0563
Trichomonas vaginalis	aldo-keto reductase, putative	0.0096	0.1691	1
Plasmodium falciparum	aldo-keto reductase, putative	0.0028	0.0194	0.4777

Activities

Activity type	Activity value	Assay description	Source	Reference
Log IC50 (binding)	= -1.48 uM	Binding affinity for dopamine receptor D2 was evaluated by the ability to displace [3H]-spiperone	ChEMBL.	2824774
Log IC50 (binding)	= -1.06 uM	Binding affinity against sigma receptor	ChEMBL.	2824774
Log IC50 (binding)	= -0.29 uM	Binding affinity against sigma receptor	ChEMBL.	2824774
Log IC50 (binding)	= 0.05 uM	Binding affinity for dopamine receptor D2 was evaluated by the ability to displace [3H]-spiperone	ChEMBL.	2824774
Log kw	= 0.5	Apparent lipophilicity (log kw) at pH 7.5	ChEMBL.	2824774
Log kw	= 0.6	Apparent lipophilicity (log kw) at pH 7.5	ChEMBL.	2824774
pED50 (functional)	= -1.4 uM kg-1	In vivo presynaptic dopaminergic potency, determined by the ability to reduce the accumulation of DOPA by 50%	ChEMBL.	2824774
Selectivity (binding)	= -0.34	Selectivity of the compound pIC50 (sigma)-pIC50(D2)	ChEMBL.	2824774
Selectivity (binding)	= 0.42	Selectivity of the compound pIC50 (sigma)-pIC50(D2)	ChEMBL.	2824774

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: 208584

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 112219