TDR Targets

Basic information

Technical information

TDR Targets ID: 732215
Name: 2-[4-[(4-fluorophenyl)methyl]-1-(3-phenylprop yl)piperazin-2-yl]ethanol
MW: 356.477 | Formula: C22H29FN2O
H donors: 1 H acceptors: 1 LogP: 3.72 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: OCCC1CN(CCN1CCCc1ccccc1)Cc1ccc(cc1)F
InChi: 1S/C22H29FN2O/c23-21-10-8-20(9-11-21)17-24-14-15-25(22(18-24)12-16-26)13-4-7-19-5-2-1-3-6-19/h1-3,5-6,8-11,22,26H,4,7,12-18H2
InChiKey: PUFBYWGIYAMAAD-UHFFFAOYSA-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

2-[4-[(4-fluorophenyl)methyl]-1-(3-phenylpropyl)-2-piperazinyl]ethanol
2-[4-(4-fluorobenzyl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol
MLS000998884
SMR000495572

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	snurportin 1		No references
Homo sapiens	karyopherin (importin) beta 1		No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	RAN, member RAS oncogene family		No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trypanosoma congolense	GTP-binding nuclear protein rtb2, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Cryptosporidium hominis	importin-beta2	Get druggable targets OG5_127843	All targets in OG5_127843
Plasmodium knowlesi	GTP-binding nuclear protein RAN/TC4, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Schistosoma mansoni	ran	Get druggable targets OG5_127514	All targets in OG5_127514
Neospora caninum	GTP-binding nuclear protein Ran, related	Get druggable targets OG5_127514	All targets in OG5_127514
Trypanosoma brucei	importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Cryptosporidium parvum	importin/karyopherin	Get druggable targets OG5_127843	All targets in OG5_127843
Toxoplasma gondii	HEAT repeat-containing protein	Get druggable targets OG5_127843	All targets in OG5_127843
Plasmodium berghei	importin beta, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	Get druggable targets OG5_131808	All targets in OG5_131808
Entamoeba histolytica	hypothetical protein	Get druggable targets OG5_127843	All targets in OG5_127843
Leishmania major	GTP-binding protein, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Leishmania donovani	GTP-binding protein, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Brugia malayi	Importin beta-1 subunit	Get druggable targets OG5_127843	All targets in OG5_127843
Echinococcus granulosus	importin subunit beta 1	Get druggable targets OG5_127843	All targets in OG5_127843
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	Get druggable targets OG5_127514	All targets in OG5_127514
Leishmania infantum	importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Leishmania mexicana	GTP-binding protein, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Plasmodium yoelii	importin beta-1 subunit	Get druggable targets OG5_127843	All targets in OG5_127843
Plasmodium vivax	importin-beta 2, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127843	All targets in OG5_127843
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Candida albicans	Ran, Ras family GTP-binding protein	Get druggable targets OG5_127514	All targets in OG5_127514
Neospora caninum	hypothetical protein	Get druggable targets OG5_127843	All targets in OG5_127843
Plasmodium falciparum	importin beta, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Leishmania braziliensis	importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Plasmodium yoelii	GTP-binding nuclear protein ran/tc4	Get druggable targets OG5_127514	All targets in OG5_127514
Plasmodium berghei	GTP-binding nuclear protein RAN/TC4, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	Get druggable targets OG5_127514	All targets in OG5_127514
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_131808	All targets in OG5_131808
Leishmania major	importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Echinococcus granulosus	GTP binding nuclear protein Ran	Get druggable targets OG5_127514	All targets in OG5_127514
Echinococcus multilocularis	importin subunit beta 1	Get druggable targets OG5_127843	All targets in OG5_127843
Trichomonas vaginalis	ran, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Cryptosporidium hominis	GTP-binding nuclear protein ran/tc4	Get druggable targets OG5_127514	All targets in OG5_127514
Trichomonas vaginalis	Importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Brugia malayi	RNA, U transporter 1	Get druggable targets OG5_131808	All targets in OG5_131808
Schistosoma japonicum	Importin subunit beta-1, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Brugia malayi	GTP-binding nuclear protein RAN/TC4	Get druggable targets OG5_127514	All targets in OG5_127514
Trypanosoma brucei	importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Trichomonas vaginalis	importin beta-1, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Theileria parva	importin beta, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Theileria parva	GTP-binding nuclear protein ran, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Schistosoma japonicum	ko:K07936 GTP-binding nuclear protein Ran, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Schistosoma japonicum	Importin subunit beta, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Echinococcus granulosus	snurportin 1	Get druggable targets OG5_131808	All targets in OG5_131808
Babesia bovis	importin beta subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Trypanosoma brucei gambiense	importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Schistosoma mansoni	importin beta-1	Get druggable targets OG5_127843	All targets in OG5_127843
Trypanosoma brucei gambiense	GTP-binding nuclear protein rtb2, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Leishmania mexicana	importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Trypanosoma cruzi	importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Leishmania braziliensis	GTP-binding protein, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Schistosoma mansoni	ran	Get druggable targets OG5_127514	All targets in OG5_127514
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	Get druggable targets OG5_127514	All targets in OG5_127514
Schistosoma japonicum	Snurportin-1, putative	Get druggable targets OG5_131808	All targets in OG5_131808
Babesia bovis	GTP-binding nuclear protein Ran	Get druggable targets OG5_127514	All targets in OG5_127514
Trichomonas vaginalis	Importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Candida albicans	Ran, Ras family GTP-binding protein	Get druggable targets OG5_127514	All targets in OG5_127514
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Leishmania donovani	importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Plasmodium knowlesi	importin beta, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Entamoeba histolytica	Ran family GTPase	Get druggable targets OG5_127514	All targets in OG5_127514
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	Get druggable targets OG5_127514	All targets in OG5_127514
Leishmania infantum	GTP-binding protein, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Echinococcus multilocularis	GTP binding nuclear protein Ran	Get druggable targets OG5_127514	All targets in OG5_127514
Candida albicans	karyopherin-beta	Get druggable targets OG5_127843	All targets in OG5_127843
Trypanosoma congolense	importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Candida albicans	karyopherin-beta	Get druggable targets OG5_127843	All targets in OG5_127843
Echinococcus multilocularis	snurportin 1	Get druggable targets OG5_131808	All targets in OG5_131808
Cryptosporidium parvum	GTP-binding nuclear protein ran/tc4	Get druggable targets OG5_127514	All targets in OG5_127514

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0007	0.0007	0.0008
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0063	0.0068
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0312	0.0312
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0063	0.0063
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0312	0.0312
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0012	0.0063	0.0063
Schistosoma mansoni	hypothetical protein	0.0205	0.2161	0.2346
Echinococcus multilocularis	snurportin 1	0.0372	0.3984	0.4323
Leishmania major	GTP-binding protein, putative	0.0026	0.0209	0.1144
Mycobacterium ulcerans	oxidoreductase	0.0173	0.1816	1
Loa Loa (eye worm)	hypothetical protein	0.006	0.0586	0.0586
Loa Loa (eye worm)	kap beta 3 protein	0.0007	0.0002	0.0002
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0012	0.0063	0.0063
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0026	0.0209	0.1144
Schistosoma mansoni	hypothetical protein	0.0019	0.0137	0.0149
Plasmodium vivax	hypothetical protein, conserved	0.0173	0.1816	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0063	0.0063
Mycobacterium ulcerans	dehydrogenase	0.0173	0.1816	1
Mycobacterium ulcerans	beta-lactamase	0.0035	0.0312	0.1168
Schistosoma mansoni	hypothetical protein	0.0406	0.436	0.4732
Plasmodium vivax	protoporphyrinogen oxidase, putative	0.0173	0.1816	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0035	0.0312	0.1168
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0012	0.0063	0.0068
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0012	0.0063	0.0063
Echinococcus multilocularis	importin 5	0.0007	0.0002	0.0002
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.0137	0.0149
Brugia malayi	beta-lactamase family protein	0.0035	0.0312	0.0312
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0312	0.0312
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0012	0.0063	0.0068
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0137	0.0137
Schistosoma mansoni	ferritin	0.0017	0.0112	0.0122
Trypanosoma brucei	importin beta-1 subunit, putative	0.0035	0.0309	0.9932
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0063	0.0063
Trichomonas vaginalis	importin beta-1, putative	0.0028	0.0238	0.3321
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0012	0.0063	0.0063
Schistosoma mansoni	hypothetical protein	0.0205	0.2161	0.2346
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0028	0.0238	0.3321
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.0137	0.0149
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.0137	0.0149
Treponema pallidum	bacterioferrin (TpF1)	0.0017	0.0112	0.5
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.0851	0.9215	1
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0173	0.1816	1
Schistosoma mansoni	importin beta-1	0.0035	0.0309	0.0336
Echinococcus granulosus	SWI:SNF complex subunit SMARCC2	0.0072	0.0715	0.0776
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0007	0.0008
Schistosoma mansoni	ferritin light chain	0.0017	0.0112	0.0122
Mycobacterium tuberculosis	Probable hydrolase	0.0035	0.0312	0.0882
Brugia malayi	beta-lactamase family protein	0.0035	0.0312	0.0312
Toxoplasma gondii	HEAT repeat-containing protein	0.0035	0.0309	0.1679
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0012	0.0063	0.0068
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0054	0.0519	0.2822
Loa Loa (eye worm)	steroid hormone receptor	0.0012	0.0063	0.0063
Loa Loa (eye worm)	hypothetical protein	0.0923	1	1
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0026	0.0209	0.1144
Echinococcus multilocularis	geminin	0.0205	0.2161	0.2346
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0602	0.0653
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0312	0.0338
Loa Loa (eye worm)	hypothetical protein	0.0173	0.1816	0.1816
Brugia malayi	RNA binding protein	0.0062	0.0602	0.0602
Brugia malayi	nuclear hormone receptor	0.0012	0.0063	0.0063
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.081	0.8765	0.9512
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0028	0.0238	0.0177
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0025	0.0025
Echinococcus multilocularis	importin subunit beta 1	0.0035	0.0309	0.0336
Mycobacterium tuberculosis	Possible oxidoreductase	0.0173	0.1816	0.755
Loa Loa (eye worm)	hypothetical protein	0.0851	0.9215	0.9215
Echinococcus multilocularis	cpg binding protein	0.003	0.0258	0.0281
Echinococcus multilocularis	FTZ F1 alpha	0.0012	0.0063	0.0068
Echinococcus granulosus	translational activator gcn1	0.0007	0.0002	0.0002
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0851	0.9215	1
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.0063	0.0068
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.0063	0.0063
Toxoplasma gondii	SWIRM domain-containing protein	0.0072	0.0715	0.3891
Brugia malayi	kap beta 3 protein	0.0007	0.0002	0.0002
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.0137	0.0149
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0012	0.0063	0.0068
Echinococcus granulosus	expressed protein	0.0017	0.0112	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0715	0.0715
Echinococcus multilocularis	SWI:SNF complex subunit SMARCC2	0.0072	0.0715	0.0776
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0173	0.1816	0.755
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0012	0.0063	0.0063
Brugia malayi	ecdysteroid receptor	0.0012	0.0063	0.0063
Echinococcus multilocularis		0.0173	0.1816	0.1971
Schistosoma mansoni	ferritin light chain	0.0017	0.0112	0.0122
Plasmodium vivax	hypothetical protein, conserved	0.0173	0.1816	1
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0372	0.3984	0.3984
Schistosoma mansoni	ferritin	0.0017	0.0112	0.0122
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0026	0.0209	0.0209
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0379	0.0379
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0007	0.0007	0.0008
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.0602	0.0602
Mycobacterium ulcerans	monoamine oxidase	0.0173	0.1816	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.006	0.059	0.064
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0063	0.0063
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0063	0.0063
Schistosoma mansoni	importin-beta 2	0.0007	0.0002	0.0002
Brugia malayi	Nuclear hormone receptor-like 1	0.0012	0.0063	0.0063
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0035	0.0312	0.0882
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0137	0.0137
Entamoeba histolytica	hypothetical protein	0.0028	0.0238	0.3309
Loa Loa (eye worm)	hypothetical protein	0.0851	0.9215	0.9215
Schistosoma mansoni	apoferritin-2	0.0017	0.0112	0.0122
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0012	0.0063	0.0068
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0063	0.0068
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.0602	0.0602
Giardia lamblia	hypothetical protein	0.0072	0.0715	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0012	0.0063	0.0068
Trichomonas vaginalis	ran, putative	0.0026	0.0209	0.2924
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0012	0.0063	0.0063
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0026	0.0209	0.0227
Trichomonas vaginalis	conserved hypothetical protein	0.0072	0.0715	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0602	0.0653
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0137	0.0137
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.0063	0.0068
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0026	0.0209	0.0227
Echinococcus granulosus	ferritin	0.0017	0.0112	0.0122
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0173	0.1816	0.1971
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0312	0.4355
Trypanosoma brucei	importin beta-1 subunit, putative	0.0035	0.0309	0.9932
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0012	0.0063	0.0063
Entamoeba histolytica	Ran family GTPase	0.0026	0.0209	0.291
Brugia malayi	photoreceptor-specific nuclear receptor	0.0012	0.0063	0.0063
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0312	0.0312
Echinococcus multilocularis	translational activator gcn1	0.0007	0.0002	0.0002
Entamoeba histolytica	hypothetical protein	0.0072	0.0715	1
Loa Loa (eye worm)	importin-beta domain-containing protein	0.0007	0.0002	0.0002
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0012	0.0063	0.0063
Schistosoma mansoni	apoferritin-2	0.0017	0.0112	0.0122
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0012	0.0063	0.0063
Echinococcus granulosus	transportin 1	0.0007	0.0002	0.0002
Plasmodium vivax	importin-beta 2, putative	0.0035	0.0309	0.1697
Mycobacterium tuberculosis	Probable esterase LipL	0.0035	0.0312	0.0882
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0035	0.0312	0.0882
Echinococcus granulosus	snurportin 1	0.0372	0.3984	0.4323
Onchocerca volvulus		0.0029	0.0241	0.0179
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0312	0.4355
Chlamydia trachomatis	protoporphyrinogen oxidase	0.0173	0.1816	0.5
Echinococcus granulosus	cpg binding protein	0.003	0.0258	0.0281
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0035	0.0312	0.0882
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0007	0.0007	0.0008
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0602	0.0653
Mycobacterium ulcerans	lipase LipD	0.0035	0.0312	0.1168
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0026	0.0209	0.6698
Schistosoma mansoni	ran	0.0026	0.0209	0.0227
Schistosoma mansoni	coup transcription factor	0.0012	0.0063	0.0068
Echinococcus multilocularis	ecdysone induced protein 78C	0.0012	0.0063	0.0068
Echinococcus granulosus	GPCR family 2	0.0019	0.0137	0.0149
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0012	0.0063	0.0068
Brugia malayi	hypothetical protein	0.0173	0.1816	0.1816
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0028	0.0238	0.3321
Loa Loa (eye worm)	hypothetical protein	0.0173	0.1816	0.1816
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0312	0.0338
Schistosoma mansoni	cpg binding protein	0.0029	0.0241	0.0261
Schistosoma mansoni	hypothetical protein	0.0019	0.0137	0.0149
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0312	0.0882
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0012	0.0063	0.0068
Brugia malayi	steroid hormone receptor	0.0012	0.0063	0.0063
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0026	0.0028
Schistosoma mansoni	hypothetical protein	0.0019	0.0137	0.0149
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0312	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0309	0.0309
Schistosoma mansoni	hypothetical protein	0.0372	0.3984	0.4323
Toxoplasma gondii	histone lysine-specific demethylase	0.0173	0.1816	0.9897
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0586	0.0586
Mycobacterium tuberculosis	Probable lipase LipD	0.0035	0.0312	0.0882
Echinococcus granulosus	dnaJ subfamily B	0.0406	0.436	0.4732
Loa Loa (eye worm)	RNA binding protein	0.0062	0.0602	0.0602
Trichomonas vaginalis	conserved hypothetical protein	0.0072	0.0715	1
Echinococcus granulosus	importin 5	0.0007	0.0002	0.0002
Onchocerca volvulus		0.0035	0.0312	0.025
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0026	0.0209	0.0209
Trichomonas vaginalis	hypothetical protein	0.0007	0.0002	0.0019
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0063	0.0068
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0035	0.0312	0.1168
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0173	0.1816	1
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0312	0.0312
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0026	0.0028
Schistosoma mansoni	cpg binding protein	0.003	0.0258	0.0281
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0173	0.1816	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0602	0.0653
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0063	0.0063
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0312	0.4355
Toxoplasma gondii	ABC1 family protein	0.0035	0.0312	0.1691
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0012	0.0063	0.0068
Schistosoma mansoni	retinoic acid receptor RXR	0.0012	0.0063	0.0068
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0312	0.0637
Schistosoma mansoni	hypothetical protein	0.0041	0.0379	0.0411
Brugia malayi	TAR-binding protein	0.0062	0.0602	0.0602
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0173	0.1816	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0586	0.0586
Leishmania major	importin beta-1 subunit, putative	0.0028	0.0238	0.1301
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.0602	0.0602
Plasmodium falciparum	importin beta, putative	0.0035	0.0309	0.1697
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0012	0.0063	0.0063
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0026	0.0209	0.1132
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.0175	0.1835	1
Mycobacterium tuberculosis	Probable lipase LipE	0.0035	0.0312	0.0882
Trichomonas vaginalis	esterase, putative	0.0035	0.0312	0.4355
Schistosoma mansoni	cpg binding protein	0.003	0.0258	0.0281
Schistosoma mansoni	nuclear hormone receptor	0.0012	0.0063	0.0068
Mycobacterium leprae	PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO)	0.0173	0.1816	1
Schistosoma mansoni	ferritin	0.0017	0.0112	0.0122
Brugia malayi	Importin beta-1 subunit	0.0035	0.0309	0.0309
Echinococcus granulosus	geminin	0.0205	0.2161	0.2346
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0012	0.0063	0.0068
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0312	0.4355
Echinococcus multilocularis	GPCR, family 2	0.0019	0.0137	0.0149
Echinococcus granulosus	tar DNA binding protein	0.0062	0.0602	0.0653
Mycobacterium leprae	conserved hypothetical protein	0.0035	0.0312	0.1168
Leishmania major	UDP-galactopyranose mutase	0.0173	0.1816	1
Brugia malayi	RNA, U transporter 1	0.0099	0.101	0.101
Schistosoma mansoni	ferritin	0.0017	0.0112	0.0122
Echinococcus granulosus	ecdysone induced protein 78C	0.0012	0.0063	0.0068
Echinococcus multilocularis	dnaJ subfamily B	0.0406	0.436	0.4732
Echinococcus granulosus	importin subunit beta 1	0.0035	0.0309	0.0336
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0029	0.0241	0.0241
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0586	0.0586
Onchocerca volvulus		0.0035	0.0312	0.025
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0312	0.0338
Schistosoma mansoni	amine oxidase	0.0173	0.1816	0.1971
Schistosoma mansoni	amine oxidase	0.0173	0.1816	0.1971
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.0063	0.0063
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.0173	0.1816	0.1971
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0026	0.0026
Echinococcus multilocularis	ferritin	0.0017	0.0112	0.0122
Plasmodium vivax	lysine-specific histone demethylase 1, putative	0.0173	0.1816	1
Echinococcus multilocularis	expressed protein	0.0017	0.0112	0.0122
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0012	0.0063	0.0068
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.0851	0.9215	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.0063	0.0063
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.0602	0.0653
Mycobacterium leprae	Probable lipase LipE	0.0035	0.0312	0.1168
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0602	0.0653
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0312	0.0882
Leishmania major	hypothetical protein, conserved	0.0035	0.0312	0.1708
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0312	0.0338
Schistosoma mansoni	ran	0.0026	0.0209	0.0227
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0012	0.0063	0.0068
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0173	0.1816	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0012	0.0063	0.0068
Echinococcus multilocularis	protoporphyrinogen oxidase	0.0173	0.1816	0.1971
Echinococcus granulosus	FTZ F1 alpha	0.0012	0.0063	0.0068
Plasmodium falciparum	lysine-specific histone demethylase 1, putative	0.0173	0.1816	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0312	0.0312
Onchocerca volvulus		0.0035	0.0312	0.025
Brugia malayi	beta-lactamase	0.0035	0.0312	0.0312
Wolbachia endosymbiont of Brugia malayi	bacterioferritin/cytochrome b1	0.0017	0.0112	0.5
Brugia malayi	CXXC zinc finger family protein	0.0029	0.0241	0.0241
Mycobacterium ulcerans	protoporphyrinogen oxidase	0.0173	0.1816	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0312	0.0637
Entamoeba histolytica	SWIRM domain protein	0.0072	0.0715	1
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0312	0.0882
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0063	0.0063
Entamoeba histolytica	SWIRM domain protein	0.0072	0.0715	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0137	0.0137
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0012	0.0063	0.0063
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0012	0.0063	0.0063
Mycobacterium ulcerans	hypothetical protein	0.0035	0.0312	0.1168
Brugia malayi	amine oxidase, flavin-containing family protein	0.0245	0.2602	0.2602
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0012	0.0063	0.0068
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0012	0.0063	0.0068
Trichomonas vaginalis	ferritin, putative	0.0017	0.0112	0.1571
Echinococcus multilocularis	transportin 1	0.0007	0.0002	0.0002
Brugia malayi	nuclear receptor NHR-88	0.0012	0.0063	0.0063
Onchocerca volvulus		0.0923	1	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0312	0.0312
Brugia malayi	SWIRM domain containing protein	0.0072	0.0715	0.0715
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0063	0.0063
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0312	0.1708
Brugia malayi	Steroid receptor seven-up type 2	0.0012	0.0063	0.0063
Plasmodium falciparum	protoporphyrinogen oxidase	0.0173	0.1816	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0063	0.0068
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.0063	0.0063
Schistosoma mansoni	hypothetical protein	0.0019	0.0137	0.0149
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.0063	0.0063
Schistosoma mansoni	RAR-like nuclear receptor	0.0012	0.0063	0.0068
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0007	0.0007	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0379	0.0379
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0012	0.0063	0.0068
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0312	0.0312
Schistosoma mansoni	SWI/SNF complex-related	0.0072	0.0715	0.0776
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0312	0.4355
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0312	0.0312
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0012	0.0063	0.0063
Loa Loa (eye worm)	hypothetical protein	0.0245	0.2602	0.2602
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.0063	0.0063
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0012	0.0063	0.0068
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0012	0.0063	0.0063
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0224	0.2369	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 1.2589 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	7.0795 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262]	ChEMBL.	No reference
Potency (functional)	8.9125 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	12.9953 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	17.7828 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	18.526 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23
Plasmodium falciparum	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: CHEMBL1463437
Search by Saint Jude

Bibliographic References

No literature references available for this target.

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Detailed information for compound 732215