TDR Targets

Basic information

Technical information

TDR Targets ID: 776686
Name: 1-[[3-(1-benzofuran-2-yl)-1-(phenylmethyl)pyr azol-4-yl]methyl]-4-(2-methoxyethoxy)piperidi ne
MW: 445.553 | Formula: C27H31N3O3
H donors: 0 H acceptors: 1 LogP: 4.02 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: COCCOC1CCN(CC1)Cc1cn(nc1c1cc2c(o1)cccc2)Cc1ccccc1
InChi: 1S/C27H31N3O3/c1-31-15-16-32-24-11-13-29(14-12-24)19-23-20-30(18-21-7-3-2-4-8-21)28-27(23)26-17-22-9-5-6-10-25(22)33-26/h2-10,17,20,24H,11-16,18-19H2,1H3
InChiKey: SNFQEIOYNMSMCD-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

1-[[3-(benzofuran-2-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl]-4-(2-methoxyethoxy)piperidine
1-[[3-(2-benzofuranyl)-1-(phenylmethyl)-4-pyrazolyl]methyl]-4-(2-methoxyethoxy)piperidine
1-[[3-(benzofuran-2-yl)-1-(benzyl)pyrazol-4-yl]methyl]-4-(2-methoxyethoxy)piperidine
1-{[3-(1-benzofuran-2-yl)-1-benzyl-1H-pyrazol-4-yl]methyl}-4-(2-methoxyethoxy)piperidine
MLS000734136
SMR000316670

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	v-ets avian erythroblastosis virus E26 oncogene homolog	Starlite/ChEMBL	No references
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	fli-1 protein	Get druggable targets OG5_131947	All targets in OG5_131947
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	ko:K09435 transcriptional regulator ERG, putative	Get druggable targets OG5_131947	All targets in OG5_131947
Schistosoma mansoni	ets-related	Get druggable targets OG5_131947	All targets in OG5_131947
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	Fli-1 protein	Get druggable targets OG5_131947	All targets in OG5_131947

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	hypothetical protein	0.0044	0.0031	0.0061
Trichomonas vaginalis	D-aminoacylase, putative	0.0079	0.0099	0.0135
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0079	0.0099	0.0911
Echinococcus granulosus	jumonji domain containing protein	0.0043	0.003	0.0023
Trichomonas vaginalis	conserved hypothetical protein	0.0069	0.0079	0.0095
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0067	0.0076	0.766
Schistosoma mansoni	ferritin	0.0045	0.0033	0.0027
Brugia malayi	Ets-domain containing protein	0.0087	0.0114	0.0226
Schistosoma mansoni	ferritin	0.0045	0.0033	0.0027
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0194	0.0317	0.0311
Schistosoma mansoni	serine/threonine protein kinase	0.0051	0.0044	0.0037
Mycobacterium ulcerans	bacterioferritin BfrA	0.0045	0.0033	0.1612
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0102	0.0142	0.0136
Leishmania major	4-coumarate:coa ligase-like protein	0.0052	0.0046	0.4642
Brugia malayi	Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1	0.0069	0.0079	0.0156
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0053	0.0046
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0053	0.0104
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0052	0.0046	0.1898
Echinococcus granulosus	regulator of G protein signaling 3	0.0044	0.0031	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0075	0.009	0.0178
Schistosoma mansoni	ferritin light chain	0.0045	0.0033	0.0027
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0096	0.0131	0.0431
Echinococcus granulosus	regulator of G protein signaling 3	0.0044	0.0031	0.0024
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0079	0.0099	0.0911
Echinococcus multilocularis	chromobox protein 1	0.0159	0.0251	0.0245
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0046	0.0091
Echinococcus granulosus	axis inhibition protein axin	0.0044	0.0031	0.0024
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0102	0.0142	0.0136
Mycobacterium leprae	conserved hypothetical protein	0.0079	0.0099	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0194	0.0317	0.0311
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0079	0.0099	1
Echinococcus multilocularis	ferritin	0.0045	0.0033	0.0027
Brugia malayi	Kinase associated domain 1 family protein	0.0885	0.1638	0.3238
Leishmania major	4-coumarate:coa ligase-like protein	0.0052	0.0046	0.4642
Echinococcus multilocularis	expressed protein	0.0853	0.1577	0.1571
Mycobacterium tuberculosis	Conserved protein	0.0079	0.0099	0.0911
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.135	0.2527	0.4995
Trypanosoma cruzi	hypothetical protein, conserved	0.0079	0.0099	1
Schistosoma mansoni	hypothetical protein	0.0885	0.1638	0.1633
Mycobacterium ulcerans	lipase LipD	0.0079	0.0099	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0052	0.0046	0.1898
Echinococcus multilocularis	beta adrenergic receptor kinase	0.0051	0.0044	0.0037
Trichomonas vaginalis	set domain proteins, putative	0.1537	0.2884	0.5673
Brugia malayi	Heterochromatin protein 1	0.0159	0.0251	0.0497
Echinococcus granulosus	regulator of G protein signaling 7	0.0044	0.0031	0.0024
Mycobacterium ulcerans	hypothetical protein	0.0079	0.0099	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0052	0.0046	0.3204
Echinococcus granulosus	A kinase anchor protein 10 mitochondrial	0.0044	0.0031	0.0024
Mycobacterium ulcerans	acyl-CoA synthetase	0.0052	0.0046	0.3204
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0052	0.0046	0.0322
Mycobacterium ulcerans	bacterioferritin BfrB	0.0045	0.0033	0.1612
Echinococcus multilocularis	chromobox protein 1	0.0159	0.0251	0.0245
Toxoplasma gondii	PHD-finger domain-containing protein	0.0031	0.0007	0.0212
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0099	0.0195
Onchocerca volvulus		0.0052	0.0046	0.0136
Onchocerca volvulus		0.1537	0.2884	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0079	0.0099	0.0092
Schistosoma mansoni	regulator of G protein signaling	0.0044	0.0031	0.0024
Echinococcus multilocularis	Regulator of G protein signaling 20	0.0044	0.0031	0.0024
Loa Loa (eye worm)	jmjC domain-containing protein	0.0064	0.007	0.0139
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0099	0.0195
Mycobacterium tuberculosis	Conserved protein	0.0079	0.0099	0.0911
Brugia malayi	Fli-1 protein	0.0265	0.0454	0.0898
Plasmodium falciparum	phd finger protein, putative	0.0031	0.0007	0.3216
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0053	0.0046
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase/rotamase, putative	0.0067	0.0076	0.766
Brugia malayi	beta-lactamase family protein	0.0079	0.0099	0.0195
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0039	0.0021	0.5
Mycobacterium ulcerans	hypothetical protein	0.0052	0.0046	0.3204
Mycobacterium tuberculosis	Conserved protein	0.0079	0.0099	0.0911
Brugia malayi	Pre-SET motif family protein	0.135	0.2527	0.4995
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0046	0.0091
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0052	0.0046	0.0322
Loa Loa (eye worm)	hypothetical protein	0.0194	0.0317	0.0627
Schistosoma mansoni	ferritin	0.0045	0.0033	0.0027
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0187	0.0304	0.0297
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0053	0.0046
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0053	0.0046
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0052	0.0046	0.3204
Echinococcus granulosus	calcium activated potassium channel	0.0892	0.1651	0.1646
Mycobacterium ulcerans	beta-lactamase	0.0079	0.0099	1
Plasmodium vivax	acyl-CoA synthetase, putative	0.0039	0.0021	0.0658
Echinococcus granulosus	expressed protein	0.0045	0.0033	0.0027
Schistosoma mansoni	serine/threonine protein kinase	0.0051	0.0044	0.0037
Entamoeba histolytica	acyl-coA synthetase, putative	0.0052	0.0046	0.0738
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0039	0.0021	0.0045
Schistosoma mansoni	serine/threonine protein kinase	0.0892	0.1651	0.1646
Echinococcus granulosus	histone lysine methyltransferase setb	0.0194	0.0317	0.0311
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0079	0.0099	0.0092
Loa Loa (eye worm)	beta-lactamase	0.0079	0.0099	0.0195
Schistosoma mansoni	cellular tumor antigen P53	0.005	0.0042	0.0035
Trichomonas vaginalis	CAMK family protein kinase	0.1791	0.3368	0.6637
Brugia malayi	hypothetical protein	0.0044	0.0031	0.0061
Schistosoma mansoni	serine/threonine protein kinase	0.0892	0.1651	0.1646
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0052	0.0046	0.0738
Trichomonas vaginalis	D-aminoacylase, putative	0.0079	0.0099	0.0135
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.015	0.0234	0.0228
Trichomonas vaginalis	chromobox protein, putative	0.0159	0.0251	0.0438
Mycobacterium ulcerans	acyl-CoA synthetase	0.0052	0.0046	0.3204
Brugia malayi	Ets-domain containing protein	0.0087	0.0114	0.0226
Trichomonas vaginalis	penicillin-binding protein, putative	0.0079	0.0099	0.0135
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0031	0.0061
Toxoplasma gondii	PHD-finger domain-containing protein	0.0031	0.0007	0.0212
Brugia malayi	AMP-binding enzyme family protein	0.0052	0.0046	0.0091
Schistosoma mansoni	ferritin light chain	0.0045	0.0033	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0099	0.0195
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, putative	0.0067	0.0076	0.2204
Leishmania major	hypothetical protein, conserved	0.0079	0.0099	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0021	0.0041
Schistosoma mansoni	apoferritin-2	0.0045	0.0033	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0021	0.0041
Brugia malayi	PHD-finger family protein	0.0031	0.0007	0.0013
Brugia malayi	PXA domain containing protein	0.0044	0.0031	0.0061
Trichomonas vaginalis	conserved hypothetical protein	0.0089	0.0118	0.0173
Entamoeba histolytica	hypothetical protein	0.015	0.0234	1
Brugia malayi	PXA domain containing protein	0.0044	0.0031	0.0061
Plasmodium vivax	hypothetical protein, conserved	0.0079	0.0099	0.3113
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0053	0.0046
Onchocerca volvulus		0.005	0.0042	0.0122
Echinococcus multilocularis	regulator of G protein signaling 3	0.0044	0.0031	0.0024
Mycobacterium tuberculosis	Probable lipase LipD	0.0079	0.0099	0.0911
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0038	0.0019	0.0013
Toxoplasma gondii	ABC1 family protein	0.0079	0.0099	0.3113
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0099	0.0195
Echinococcus multilocularis	axis inhibition protein axin	0.0044	0.0031	0.0024
Mycobacterium leprae	Probable lipase LipE	0.0079	0.0099	1
Echinococcus multilocularis	GA binding protein alpha chain	0.0087	0.0114	0.0108
Giardia lamblia	PHD finger protein 15	0.0031	0.0007	0.5
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0194	0.0317	0.0311
Trichomonas vaginalis	chromobox protein, putative	0.0096	0.0131	0.0198
Loa Loa (eye worm)	AGC/GRK/BARK protein kinase	0.0051	0.0044	0.0086
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0044	0.0031	0.0024
Brugia malayi	jmjC domain containing protein	0.0038	0.0019	0.0038
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.015	0.0234	0.0228
Brugia malayi	Pre-SET motif family protein	0.0194	0.0317	0.0627
Schistosoma mansoni	serine/threonine protein kinase	0.0892	0.1651	0.1646
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0031	0.0061
Trichomonas vaginalis	conserved hypothetical protein	0.0063	0.0068	0.0074
Schistosoma mansoni	microtubule-associated protein tau	0.5262	1	1
Echinococcus multilocularis	regulator of G protein signaling 3	0.0044	0.0031	0.0024
Echinococcus multilocularis	jumonji domain containing protein	0.0043	0.003	0.0023
Echinococcus multilocularis	calcium activated potassium channel	0.0892	0.1651	0.1646
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0099	0.0195
Brugia malayi	beta-lactamase family protein	0.0079	0.0099	0.0195
Trichomonas vaginalis	conserved hypothetical protein	0.0063	0.0068	0.0074
Echinococcus multilocularis	lysine specific demethylase 5A	0.0038	0.0019	0.0013
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0052	0.0046	0.3204
Loa Loa (eye worm)	jmjC domain-containing protein	0.0038	0.0019	0.0038
Entamoeba histolytica	hypothetical protein	0.015	0.0234	1
Schistosoma mansoni	ferritin	0.0045	0.0033	0.0027
Echinococcus granulosus	serine:threonine protein kinase MARK2	0.0892	0.1651	0.1646
Loa Loa (eye worm)	hypothetical protein	0.005	0.0042	0.0083
Schistosoma mansoni	apoferritin-2	0.0045	0.0033	0.0027
Echinococcus multilocularis	maternal embryonic leucine zipper kinase	0.1791	0.3368	0.3364
Echinococcus multilocularis	regulator of G protein signaling 7	0.0044	0.0031	0.0024
Schistosoma mansoni	chromobox protein	0.0159	0.0251	0.0245
Leishmania major	4-coumarate:coa ligase-like protein	0.0052	0.0046	0.4642
Schistosoma mansoni	regulator of G protein signaling	0.0044	0.0031	0.0024
Echinococcus multilocularis	axis inhibition protein axin	0.0044	0.0031	0.0024
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0507	0.0916	1
Loa Loa (eye worm)	PXA domain-containing protein	0.0044	0.0031	0.0061
Onchocerca volvulus		0.007	0.0081	0.0258
Mycobacterium ulcerans	esterase/lipase LipP	0.0079	0.0099	1
Brugia malayi	jmjC domain containing protein	0.0102	0.0142	0.0281
Echinococcus granulosus	chromobox protein 1	0.0159	0.0251	0.0245
Brugia malayi	regulator of G-protein signaling egl-10	0.0044	0.0031	0.0061
Echinococcus granulosus	Regulator of G protein signaling 20	0.0044	0.0031	0.0024
Onchocerca volvulus		0.022	0.0367	0.1252
Brugia malayi	Bromodomain containing protein	0.0031	0.0007	0.0013
Brugia malayi	beta-lactamase	0.0079	0.0099	0.0195
Trichomonas vaginalis	conserved hypothetical protein	0.0089	0.0118	0.0173
Mycobacterium tuberculosis	Probable esterase LipL	0.0079	0.0099	0.0911
Trichomonas vaginalis	rotamase, putative	0.0067	0.0076	0.0089
Trichomonas vaginalis	D-aminoacylase, putative	0.0079	0.0099	0.0135
Loa Loa (eye worm)	fli-1 protein	0.0265	0.0454	0.0898
Brugia malayi	hypothetical protein	0.015	0.0234	0.0463
Mycobacterium tuberculosis	Probable hydrolase	0.0079	0.0099	0.0911
Schistosoma mansoni	regulator of G protein signaling 3 rgs3	0.0044	0.0031	0.0024
Trichomonas vaginalis	rotamase, putative	0.0069	0.0079	0.0095
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0046	0.0091
Loa Loa (eye worm)	Pin1-type peptidyl-prolyl cis-trans isomerase	0.0069	0.0079	0.0156
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0038	0.0019	0.0013
Echinococcus granulosus	serine:threonine protein kinase MARK2	0.0892	0.1651	0.1646
Onchocerca volvulus		0.0079	0.0099	0.032
Schistosoma mansoni	serine/threonine protein kinase	0.0051	0.0044	0.0037
Trichomonas vaginalis	ferritin, putative	0.0045	0.0033	0.0005
Trichomonas vaginalis	esterase, putative	0.0079	0.0099	0.0135
Brugia malayi	chromobox protein homolog 3	0.0089	0.0118	0.0233
Schistosoma mansoni	regulator of G protein signaling	0.0044	0.0031	0.0024
Schistosoma mansoni	jumonji domain containing protein	0.0081	0.0102	0.0095
Mycobacterium tuberculosis	Probable lipase LipE	0.0079	0.0099	0.0911
Echinococcus multilocularis	expressed protein	0.0069	0.0079	0.0072
Echinococcus multilocularis	expressed protein	0.0045	0.0033	0.0027
Schistosoma mansoni	z-protein (S1r protein)	0.0044	0.0031	0.0024
Brugia malayi	Regulator of G protein signaling domain containing protein	0.0044	0.0031	0.0061
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0052	0.0046	0.3204
Trichomonas vaginalis	chromobox protein, putative	0.0096	0.0131	0.0198
Toxoplasma gondii	peptidylprolyl isomerase	0.0067	0.0076	0.2384
Brugia malayi	Probable G protein-coupled receptor kinase F19C6.1, putative	0.0051	0.0044	0.0086
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0079	0.0099	0.0911
Trypanosoma brucei	hypothetical protein, conserved	0.0079	0.0099	1
Leishmania major	peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative	0.0067	0.0076	0.766
Schistosoma mansoni	rotamase	0.0069	0.0079	0.0072
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.0087	0.0114	0.0226
Treponema pallidum	bacterioferrin (TpF1)	0.0045	0.0033	0.5
Echinococcus granulosus	chromobox protein 1	0.0159	0.0251	0.0245
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0118	0.0233
Loa Loa (eye worm)	hypothetical protein	0.0885	0.1638	0.3238
Schistosoma mansoni	gabp alpha	0.0087	0.0114	0.0108
Echinococcus multilocularis	regulator of G protein signaling 7	0.0044	0.0031	0.0024
Trypanosoma cruzi	hypothetical protein, conserved	0.0079	0.0099	1
Schistosoma mansoni	regulator of G protein signaling	0.0044	0.0031	0.0024
Echinococcus granulosus	beta-adrenergic receptor kinase	0.0051	0.0044	0.0037
Loa Loa (eye worm)	AGC/GRK/GRK protein kinase	0.0051	0.0044	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0031	0.0061
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0044	0.0031	0.0024
Echinococcus granulosus	regulator of G protein signaling 7	0.0044	0.0031	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0021	0.0041
Brugia malayi	SET domain containing protein	0.0033	0.0011	0.0021
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0099	0.0195
Brugia malayi	AMP-binding enzyme family protein	0.0052	0.0046	0.0091
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0079	0.0099	0.0195
Loa Loa (eye worm)	PHD-finger family protein	0.0031	0.0007	0.0013
Mycobacterium tuberculosis	Bacterioferritin BfrB	0.0045	0.0033	0.0184
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0053	0.0104
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0079	0.0099	0.0195
Loa Loa (eye worm)	RGS-3 protein	0.0044	0.0031	0.0061
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0089	0.0118	0.0386
Schistosoma mansoni	regulator of G protein signaling	0.0044	0.0031	0.0024
Echinococcus multilocularis	hypothetical protein	0.0885	0.1638	0.1633
Brugia malayi	regulator of G-protein signaling rgs-7	0.0044	0.0031	0.0061
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0049	0.0097
Schistosoma mansoni	ets-related	0.0265	0.0454	0.0448
Trichomonas vaginalis	CAMK family protein kinase	0.2676	0.5059	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0194	0.0317	0.0311
Echinococcus granulosus	GA binding protein alpha chain	0.0087	0.0114	0.0108
Schistosoma mansoni	axis inhibition protein axin	0.0044	0.0031	0.0024
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0053	0.0046
Echinococcus granulosus	expressed protein	0.0853	0.1577	0.1571
Brugia malayi	Protein kinase domain containing protein	0.2676	0.5059	1
Echinococcus granulosus	tumor protein p63	0.0339	0.0594	0.0588
Schistosoma mansoni	serine/threonine protein kinase	0.0892	0.1651	0.1646
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0194	0.0317	0.0311
Echinococcus granulosus	maternal embryonic leucine zipper kinase	0.1791	0.3368	0.3364
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0031	0.0061
Echinococcus multilocularis	microtubule associated protein 2	0.5262	1	1
Schistosoma mansoni	hypothetical protein	0.015	0.0234	0.0228
Loa Loa (eye worm)	CAMK/CAMKL/MELK protein kinase	0.2676	0.5059	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0031	0.0061
Mycobacterium tuberculosis	Probable bacterioferritin BfrA	0.0045	0.0033	0.0184
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0021	0.0041
Plasmodium vivax	hypothetical protein, conserved	0.0031	0.0007	0.0212
Onchocerca volvulus		0.0079	0.0099	0.032
Echinococcus multilocularis	regulator of G protein signaling	0.0044	0.0031	0.0024
Trichomonas vaginalis	CAMK family protein kinase	0.1791	0.3368	0.6637
Brugia malayi	A-kinase anchor protein 10, precursor	0.0044	0.0031	0.0061
Onchocerca volvulus		0.0079	0.0099	0.032
Schistosoma mansoni	serine/threonine protein kinase	0.0892	0.1651	0.1646
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0053	0.0046
Schistosoma mansoni	axis inhibition protein axin	0.0044	0.0031	0.0024
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0044	0.0031	0.0061
Echinococcus granulosus	beta LACTamase domain containing family member	0.0079	0.0099	0.0092
Echinococcus granulosus	lysine specific demethylase 5A	0.0038	0.0019	0.0013
Echinococcus multilocularis	tumor protein p63	0.0339	0.0594	0.0588
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0031	0.0061
Echinococcus granulosus	axis inhibition protein axin	0.0044	0.0031	0.0024
Brugia malayi	AMP-binding enzyme family protein	0.0052	0.0046	0.0091
Schistosoma mansoni	hypothetical protein	0.0885	0.1638	0.1633
Trichomonas vaginalis	penicillin-binding protein, putative	0.0079	0.0099	0.0135
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0052	0.0046	0.0738
Schistosoma mansoni	transcription factor LCR-F1	0.015	0.0234	0.0228
Plasmodium vivax	SET domain protein, putative	0.0194	0.0317	1
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0052	0.0046	0.3204
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0021	0.0041
Echinococcus multilocularis	serine:threonine protein kinase MARK2	0.0892	0.1651	0.1646
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0067	0.0076	0.766
Wolbachia endosymbiont of Brugia malayi	bacterioferritin/cytochrome b1	0.0045	0.0033	0.5
Plasmodium falciparum	acyl-CoA synthetase	0.0039	0.0021	1
Schistosoma mansoni	chromobox protein	0.0159	0.0251	0.0245
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.022	0.0367	0.0361
Entamoeba histolytica	hypothetical protein	0.015	0.0234	1
Echinococcus multilocularis	serine:threonine protein kinase MARK2	0.0892	0.1651	0.1646
Echinococcus granulosus	ferritin	0.0045	0.0033	0.0027
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0194	0.0317	1
Echinococcus granulosus	expressed protein	0.0069	0.0079	0.0072
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0007	0.0013
Brugia malayi	Regulator of G protein signaling domain containing protein	0.0044	0.0031	0.0061
Schistosoma mansoni	serine/threonine kinase	0.2676	0.5059	0.5056
Echinococcus multilocularis	A kinase anchor protein 10, mitochondrial	0.0044	0.0031	0.0024
Loa Loa (eye worm)	hypothetical protein	0.007	0.0081	0.016
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0079	0.0099	0.0092
Trichomonas vaginalis	chromobox protein, putative	0.0159	0.0251	0.0438
Entamoeba histolytica	hypothetical protein	0.015	0.0234	1
Loa Loa (eye worm)	heterochromatin protein 1	0.0159	0.0251	0.0497

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.6573 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)	8.2753 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS for Small Molecule Inhibitors of the ERG Ets/DNA interaction. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	23.0999 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	25.1189 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	35.4813 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)	100 uM	PubChem BioAssay. qHTS for Small Molecule Inhibitors of the ERG Ets/DNA interaction: HTRF assay against cherry picks. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
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: CHEMBL1728907
Search by Saint Jude

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 776686