TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 512.729 | Formula: C33H44N4O
H donors: 0 H acceptors: 2 LogP: 6.45 Rotable bonds: 7
Rule of 5 violations (Lipinski): 2
SMILES: O=C(C(C)(C)C)N1CCC(CC1)(CCN1[C@@H]2CC[C@H]1C[C@@H](C2)n1c(C)nc2c1cccc2)c1ccccc1
InChi: 1S/C33H44N4O/c1-24-34-29-12-8-9-13-30(29)37(24)28-22-26-14-15-27(23-28)36(26)21-18-33(25-10-6-5-7-11-25)16-19-35(20-17-33)31(38)32(2,3)4/h5-13,26-28H,14-23H2,1-4H3/t26-,27+,28-
InChiKey: SBQOMISLKZTLHT-OUOZDZGXSA-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

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
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0047	0.14	0.14
Brugia malayi	Steroid receptor seven-up type 2	0.0047	0.14	0.14
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0106	0.3935	0.3935
Echinococcus granulosus	aldo keto reductase family 1, member B4	0.0031	0.068	0.068
Schistosoma mansoni	retinoblastoma-binding protein 4 (rbbp4)	0.0015	0.0006	0.0008
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0022	0.0319	0.0319
Brugia malayi	Death domain containing protein	0.0015	0.000000037533	0.000000037533
Onchocerca volvulus		0.005	0.1524	0.2908
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0047	0.14	0.2671
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0106	0.3935	0.3935
Mycobacterium leprae	Possible oxidoreductase	0.0031	0.068	0.1591
Entamoeba histolytica	aldose reductase, putative	0.0106	0.3935	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.068	0.1591
Loa Loa (eye worm)	aryl Hydrocarbon receptor Associated protein family member	0.0017	0.0088	0.0088
Onchocerca volvulus		0.0047	0.14	0.2671
Loa Loa (eye worm)	DR-78	0.0022	0.0319	0.0319
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0068	0.2325	0.5841
Brugia malayi	Nuclear hormone receptor-like 1	0.0025	0.0434	0.0434
Echinococcus multilocularis	ankyrin repeat and death domain containing protein	0.0015	0.000000037533	0.000000037533
Onchocerca volvulus		0.0106	0.3935	0.7505
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0106	0.3935	0.3935
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0319	0.0319
Schistosoma mansoni	hypothetical protein	0.005	0.1524	0.209
Loa Loa (eye worm)	hypothetical protein	0.0047	0.14	0.14
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0045	0.1287	0.1287
Brugia malayi	hypothetical protein	0.0025	0.0434	0.0434
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0006	0.0006
Echinococcus granulosus	aldo keto reductase	0.0106	0.3935	0.3935
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.0973	0.0973
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0047	0.14	0.14
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0025	0.0434	0.0434
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0047	0.14	0.14
Brugia malayi	NADH-dependent xylose reductase	0.0031	0.068	0.068
Schistosoma mansoni	nuclear receptor nhr-48	0.0022	0.0319	0.0437
Entamoeba histolytica	hypothetical protein	0.0037	0.0973	0.0899
Echinococcus multilocularis	aldo keto reductase	0.0106	0.3935	0.3935
Echinococcus granulosus	aryl hydrocarbon receptor	0.0136	0.5266	0.5266
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0106	0.3935	0.3935
Toxoplasma gondii	aldose reductase, putative	0.0106	0.3935	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0042	0.1159	0.2829
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0047	0.14	0.192
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0047	0.14	0.14
Loa Loa (eye worm)	hypothetical protein	0.0047	0.14	0.14
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0106	0.3935	0.3935
Leishmania major	protein kinase, putative	0.0022	0.032	0.066
Trichomonas vaginalis	aldo-keto reductase, putative	0.0106	0.3935	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0047	0.14	0.192
Onchocerca volvulus		0.0022	0.0319	0.0608
Echinococcus multilocularis	nuclear receptor nhr 48	0.0022	0.0319	0.0319
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0106	0.3935	0.3935
Echinococcus multilocularis	aldo keto reductase	0.0106	0.3935	0.3935
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0047	0.14	0.14
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0022	0.0319	0.0319
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0434	0.0434
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0068	0.2325	0.2325
Trichomonas vaginalis	aldo-keto reductase, putative	0.0106	0.3935	1
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0068	0.2325	0.2325
Brugia malayi	nuclear receptor RXR	0.0025	0.0434	0.0434
Loa Loa (eye worm)	hypothetical protein	0.0106	0.3935	0.3935
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0045	0.1287	0.1287
Schistosoma mansoni	potassium channel beta	0.0031	0.068	0.0932
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0106	0.3935	1
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0106	0.3935	1
Schistosoma mansoni	nuclear receptor	0.0022	0.0319	0.0437
Echinococcus granulosus	Aryl hydrocarbon receptor nuclear	0.0017	0.0088	0.0088
Mycobacterium ulcerans	putative regulatory protein	0.0047	0.1379	0.2148
Onchocerca volvulus		0.0022	0.0319	0.0608
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0022	0.0319	0.0319
Schistosoma mansoni	thyroid hormone receptor	0.0047	0.14	0.192
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0022	0.0319	0.0319
Schistosoma mansoni	aldo-keto reductase	0.0106	0.3935	0.5395
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0047	0.14	0.192
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0047	0.14	0.14
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0068	0.2325	0.3188
Onchocerca volvulus		0.0031	0.068	0.1297
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0047	0.14	0.14
Echinococcus multilocularis	voltage gated potassium channel subunit	0.0031	0.068	0.068
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0068	0.2325	0.2325
Onchocerca volvulus	Bile acid receptor homolog	0.0047	0.14	0.2671
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0106	0.3935	0.3935
Brugia malayi	nuclear receptor RXR	0.0022	0.0319	0.0319
Brugia malayi	nuclear receptor NHR-67	0.0022	0.0319	0.0319
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.005	0.1524	0.1524
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0319	0.0319
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0106	0.3935	0.3935
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0047	0.14	0.14
Trichomonas vaginalis	aldo/keto reductase, putative	0.0106	0.3935	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0047	0.14	0.192
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0106	0.3935	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.068	0.1591
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0434	0.0434
Echinococcus granulosus	aldo keto reductase	0.0106	0.3935	0.3935
Trypanosoma cruzi	aldo-keto reductase	0.0106	0.3935	1
Trichomonas vaginalis	alcohol dehydrogenase, putative	0.0031	0.068	0.1591
Echinococcus multilocularis	aldehyde reductase	0.0075	0.2607	0.2607
Mycobacterium tuberculosis	Probable oxidoreductase	0.0106	0.3935	1
Loa Loa (eye worm)	hypothetical protein	0.0119	0.4531	0.4531
Echinococcus granulosus	aldo keto reductase	0.0106	0.3935	0.3935
Brugia malayi	nuclear receptor NHR-88	0.0022	0.0319	0.0319
Echinococcus granulosus	nuclear receptor nhr 48	0.0022	0.0319	0.0319
Schistosoma mansoni	ankyrin 23/unc44	0.0015	0.000000037533	0.000000051465
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.0973	0.0973
Schistosoma mansoni	RAR-like nuclear receptor	0.0047	0.14	0.192
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0047	0.14	0.192
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0106	0.3935	0.3935
Loa Loa (eye worm)	hypothetical protein	0.0136	0.5243	0.5243
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0047	0.14	0.14
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0319	0.0319
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0047	0.14	0.14
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0022	0.0319	0.0319
Chlamydia trachomatis	two component regulatory system sensor histidine kinase	0.0016	0.0064	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0047	0.14	0.14
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0106	0.3935	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0434	0.0434
Echinococcus multilocularis	Aryl hydrocarbon receptor nuclear	0.0017	0.0088	0.0088
Leishmania major	aldo/keto reductase, putative,aldo/keto reductase family-like protein	0.0031	0.068	0.1591
Schistosoma mansoni	coup transcription factor	0.0047	0.14	0.192
Brugia malayi	ecdysone receptor	0.0022	0.0319	0.0319
Brugia malayi	nuclear hormone receptor family member odr-7	0.0022	0.0319	0.0319
Brugia malayi	glutamate-cysteine ligase modifier subunit	0.0031	0.068	0.068
Echinococcus multilocularis	transcription factor Dp 1	0.004	0.1073	0.1073
Mycobacterium ulcerans	oxidoreductase	0.0106	0.3935	1
Loa Loa (eye worm)	hypothetical protein	0.0047	0.14	0.14
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0068	0.2325	0.5841
Loa Loa (eye worm)	oxidoreductase	0.0106	0.3935	0.3935
Onchocerca volvulus	Protein ultraspiracle homolog	0.0047	0.14	0.2671
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0319	0.0319
Brugia malayi	Nuclear hormone receptor E75	0.0022	0.0319	0.0319
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0022	0.0319	0.0319
Onchocerca volvulus		0.0106	0.3935	0.7505
Entamoeba histolytica	aldose reductase, putative	0.0106	0.3935	1
Brugia malayi	hypothetical protein	0.0037	0.0973	0.0973
Echinococcus multilocularis	aldo keto reductase	0.0106	0.3935	0.3935
Echinococcus granulosus	voltage gated potassium channel subunit	0.0031	0.068	0.068
Echinococcus multilocularis	survival motor neuron protein 1	0.0245	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0106	0.3935	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0047	0.14	0.14
Entamoeba histolytica	hypothetical protein	0.0037	0.0973	0.0899
Echinococcus multilocularis	FTZ F1 alpha	0.0047	0.14	0.14
Giardia lamblia	Aldose reductase	0.0106	0.3935	0.5
Echinococcus multilocularis	aldo keto reductase	0.0106	0.3935	0.3935
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0106	0.3935	0.3935
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0319	0.0319
Echinococcus granulosus	hypothetical protein	0.0106	0.3935	0.3935
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0025	0.0434	0.0596
Trichomonas vaginalis	aldo-keto reductase, putative	0.0106	0.3935	1
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0045	0.1287	0.1287
Brugia malayi	nuclear hormone receptor	0.0022	0.0319	0.0319
Echinococcus multilocularis	ecdysone induced protein 78C	0.0047	0.14	0.14
Schistosoma mansoni	pol-related	0.0106	0.3935	0.5395
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0047	0.14	0.14
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0068	0.2325	0.5054
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0319	0.0319
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0434	0.0434
Plasmodium falciparum	aldo-keto reductase, putative	0.0031	0.068	0.5
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0022	0.0319	0.0319
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0434	0.0434
Loa Loa (eye worm)	hypothetical protein	0.0047	0.14	0.14
Schistosoma mansoni	nuclear hormone receptor	0.0022	0.0319	0.0437
Loa Loa (eye worm)	hypothetical protein	0.0047	0.14	0.14
Brugia malayi	Uncoordinated protein 44	0.0015	0.000000037533	0.000000037533
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0068	0.2325	0.5054
Echinococcus granulosus	FTZ F1 alpha	0.0047	0.14	0.14
Echinococcus granulosus	ankyrin repeat and death domain containing protein	0.0015	0.000000037533	0.000000037533
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0025	0.0434	0.0434
Schistosoma mansoni	aldo-keto reductase	0.0106	0.3935	0.5395
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0025	0.0434	0.0434
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0319	0.0319
Schistosoma mansoni	voltage-gated potassium channel	0.0049	0.1464	0.2008
Echinococcus granulosus	survival motor neuron protein 1	0.0245	1	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1031	0.1031
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0047	0.14	0.14
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0022	0.0319	0.0319
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0106	0.3935	0.3935
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0047	0.14	0.14
Trichomonas vaginalis	conserved hypothetical protein	0.0031	0.068	0.1591
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0022	0.0319	0.0319
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0064	0.0064
Trichomonas vaginalis	aldo-keto reductase, putative	0.0106	0.3935	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0047	0.14	0.14
Schistosoma mansoni	survival motor neuron protein	0.005	0.1524	0.209
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0047	0.14	0.192
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0319	0.0319
Schistosoma mansoni	nuclear receptor	0.0022	0.0319	0.0437
Brugia malayi	PAS domain containing protein	0.0063	0.2091	0.2091
Onchocerca volvulus		0.0106	0.3935	0.7505
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0022	0.0319	0.0319
Trypanosoma brucei	aldo-keto reductase, putative	0.0106	0.3935	1
Loa Loa (eye worm)	hypothetical protein	0.0047	0.14	0.14
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0022	0.0319	0.0319
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0106	0.3935	0.3935
Trypanosoma cruzi	aldo/keto reductase, putative	0.0031	0.068	0.1591
Schistosoma mansoni	single-minded	0.0063	0.2091	0.2867
Brugia malayi	Nuclear hormone receptor-like 1	0.0025	0.0434	0.0434
Entamoeba histolytica	aldose reductase, putative	0.0106	0.3935	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.0106	0.3935	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0047	0.14	0.14
Loa Loa (eye worm)	hypothetical protein	0.0047	0.14	0.14
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0047	0.14	0.14
Brugia malayi	hypothetical protein	0.0022	0.0319	0.0319
Loa Loa (eye worm)	oxidoreductase	0.0106	0.3935	0.3935
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0106	0.3935	0.3935
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0022	0.0319	0.0608
Onchocerca volvulus		0.0106	0.3935	0.7505
Leishmania major	aldo-keto reductase-like protein	0.0106	0.3935	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0047	0.14	0.14
Brugia malayi	hypothetical protein	0.0022	0.0319	0.0319
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0047	0.14	0.14
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0047	0.14	0.14
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0047	0.14	0.14
Loa Loa (eye worm)	nuclear hormone receptor	0.0022	0.0319	0.0319
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0047	0.14	0.14
Loa Loa (eye worm)	hypothetical protein	0.0245	1	1
Brugia malayi	bHLH-PAS transcription factor	0.0047	0.1379	0.1379
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0047	0.14	0.14
Leishmania major	prostaglandin f synthase, putative	0.0106	0.3935	1
Schistosoma mansoni	nuclear hormone receptor	0.0047	0.14	0.192
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0047	0.14	0.14
Echinococcus multilocularis	nuclear factor of activated T cells 5	0.0076	0.2668	0.2668
Loa Loa (eye worm)	oxidoreductase	0.0106	0.3935	0.3935
Brugia malayi	aryl hydrocarbon receptor AHR-1	0.0119	0.4531	0.4531
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0047	0.14	0.14
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0106	0.3935	0.3935
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0045	0.1287	0.1287
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0047	0.14	0.14
Trichomonas vaginalis	aldo-keto reductase, putative	0.0106	0.3935	1
Plasmodium falciparum	aldehyde reductase, putative	0.0031	0.068	0.5
Trichomonas vaginalis	aldo-keto reductase, putative	0.0106	0.3935	1
Echinococcus granulosus	transcription factor Dp 1	0.004	0.1073	0.1073
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0031	0.068	0.068
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0106	0.3935	0.3935
Onchocerca volvulus		0.0136	0.5243	1
Echinococcus granulosus	ecdysone induced protein 78C	0.0047	0.14	0.14
Echinococcus multilocularis	transfer RNA-Lys	0.0047	0.1379	0.1379
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0047	0.14	0.192
Echinococcus granulosus	Ankyrin	0.0015	0.0006	0.0006
Trichomonas vaginalis	aldo-keto reductase, putative	0.0106	0.3935	1
Brugia malayi	Protein kinase domain containing protein	0.0015	0.000000037533	0.000000037533
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0022	0.0319	0.0319
Mycobacterium leprae	Conserved hypothetical protein	0.0075	0.2607	0.6571
Echinococcus granulosus	single minded 2	0.0051	0.1557	0.1557
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0106	0.3935	1
Loa Loa (eye worm)	steroid hormone receptor	0.0047	0.14	0.14
Brugia malayi	photoreceptor-specific nuclear receptor	0.0047	0.14	0.14
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0022	0.0319	0.0319
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0106	0.3935	0.3935
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0047	0.14	0.14
Brugia malayi	ecdysteroid receptor	0.0047	0.14	0.14
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0047	0.14	0.14
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0106	0.3935	0.3935
Brugia malayi	conserved hypotetical protein	0.0022	0.0319	0.0319
Brugia malayi	nuclear receptor NHR-88	0.0047	0.14	0.14
Brugia malayi	tailless protein	0.0022	0.0319	0.0319
Giardia lamblia	Aldose reductase	0.0106	0.3935	0.5
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.068	0.1591
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0319	0.0319
Echinococcus granulosus	nuclear factor of activated T cells 5	0.0076	0.2668	0.2668
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0047	0.14	0.14
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0106	0.3935	0.3935
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0022	0.0319	0.0437
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0042	0.1159	0.2829
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0319	0.0319
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0068	0.2325	0.2325
Trypanosoma brucei	prostaglandin f synthase	0.0106	0.3935	1
Brugia malayi	nuclear hormone receptor	0.0047	0.14	0.14
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0106	0.3935	0.3935
Trypanosoma cruzi	aldo/keto reductase, putative	0.0106	0.3935	1
Echinococcus granulosus	aldehyde reductase	0.0075	0.2607	0.2607
Echinococcus granulosus	thyroid hormone receptor alpha	0.0022	0.0319	0.0319
Schistosoma mansoni	nuclear hormone receptor	0.0022	0.0319	0.0437
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0106	0.3935	0.3935
Brugia malayi	hypothetical protein	0.0025	0.0434	0.0434
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0106	0.3935	0.3935
Brugia malayi	hypothetical protein	0.0016	0.0064	0.0064
Plasmodium vivax	oxidoreductase, aldo/keto reductase domain containing protein	0.0031	0.068	0.5
Schistosoma mansoni	aryl hydrocarbon receptor	0.0183	0.7293	1
Echinococcus multilocularis	Ankyrin	0.0015	0.0006	0.0006
Trichomonas vaginalis	aldo-keto reductase, putative	0.0106	0.3935	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0319	0.0319
Onchocerca volvulus		0.0047	0.1403	0.2675
Loa Loa (eye worm)	oxidoreductase	0.0106	0.3935	0.3935
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0319	0.0319
Loa Loa (eye worm)	oxidoreductase	0.0106	0.3935	0.3935
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0022	0.0319	0.0608
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0047	0.14	0.14
Entamoeba histolytica	hypothetical protein	0.0037	0.0973	0.0899
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0022	0.0319	0.0437
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0106	0.3935	0.3935
Schistosoma mansoni	voltage-gated potassium channel	0.0049	0.1464	0.2008
Trichomonas vaginalis	aldo-keto reductase, putative	0.0106	0.3935	1
Plasmodium vivax	aldehyde reductase, putative	0.0031	0.068	0.5
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0047	0.14	0.14
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0319	0.0319
Onchocerca volvulus		0.0106	0.3935	0.7505
Onchocerca volvulus		0.0106	0.3935	0.7505
Loa Loa (eye worm)	hypothetical protein	0.012	0.4555	0.4555
Brugia malayi	steroid hormone receptor	0.0047	0.14	0.14
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.0973	0.1334
Trichomonas vaginalis	aldo-keto reductase, putative	0.0106	0.3935	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0106	0.3935	1
Echinococcus multilocularis	aryl hydrocarbon receptor	0.0136	0.5266	0.5266
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0106	0.3935	0.3935
Brugia malayi	Nuclear hormone receptor E75	0.0022	0.0319	0.0319
Schistosoma mansoni	thyroid hormone receptor	0.0047	0.14	0.192
Brugia malayi	orphan nuclear receptor NR2E1	0.0022	0.0319	0.0319
Trichomonas vaginalis	aldo-keto reductase, putative	0.0106	0.3935	1
Loa Loa (eye worm)	hypothetical protein	0.0047	0.14	0.14
Entamoeba histolytica	hypothetical protein	0.0037	0.0973	0.0899
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0047	0.14	0.14
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0047	0.14	0.14
Trichomonas vaginalis	aldo/keto reductase, putative	0.0106	0.3935	1
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0068	0.2325	0.5841
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0025	0.0434	0.0596
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0047	0.14	0.14
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0106	0.3935	0.3935
Schistosoma mansoni	zinc finger protein	0.0022	0.0319	0.0437
Schistosoma mansoni	retinoic acid receptor RXR	0.0047	0.14	0.192
Schistosoma mansoni	hypothetical protein	0.0037	0.0973	0.1334

Activities

Activity type	Activity value	Assay description	Source	Reference
pIC50 (binding)		Displacement of 125I-MIP-1beta from human CCR5 receptor after 4 hrs by scintillation counting	ChEMBL.	21539377

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: CHEMBL1784393

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1527389