TDR Targets

Basic information

Technical information

TDR Targets ID: 1284885
Name: 3-[2-[4-(2,3-dihydro-1,4-benzodioxine-2-carbo nyl)piperazin-1-yl]-2-oxoethyl]-5-methoxy-4,7 -dimethylchromen-2-one
MW: 492.52 | Formula: C27H28N2O7
H donors: 0 H acceptors: 3 LogP: 2.31 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(C)cc2c1c(C)c(c(=O)o2)CC(=O)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2
InChi: 1S/C27H28N2O7/c1-16-12-21(33-3)25-17(2)18(27(32)36-22(25)13-16)14-24(30)28-8-10-29(11-9-28)26(31)23-15-34-19-6-4-5-7-20(19)35-23/h4-7,12-13,23H,8-11,14-15H2,1-3H3
InChiKey: UTIQYVGGUFNCOR-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

3-[2-[4-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)piperazin-1-yl]-2-oxo-ethyl]-5-methoxy-4,7-dimethyl-chromen-2-one
3-[2-[4-(2,3-dihydro-1,4-benzodioxin-2-yl-oxomethyl)-1-piperazinyl]-2-oxoethyl]-5-methoxy-4,7-dimethyl-2-chromenone
3-[2-[4-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)piperazin-1-yl]-2-keto-ethyl]-5-methoxy-4,7-dimethyl-coumarin
3-[2-[4-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)piperazin-1-yl]-2-oxo-ethyl]-5-methoxy-4,7-dimethyl-chromen-2-one

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references
Homo sapiens	polo-like kinase 1	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	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
Trypanosoma brucei	polo-like protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Echinococcus multilocularis	serine:threonine protein kinase PLK1	Get druggable targets OG5_127396	All targets in OG5_127396
Leishmania mexicana	protein kinase, putative,polo-like protein kinase, putative	Get druggable targets OG5_127396	All targets in OG5_127396
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	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
Trypanosoma cruzi	polo-like protein kinase, putative	Get druggable targets OG5_127396	All targets in OG5_127396
Trichomonas vaginalis	CAMK family protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Trichomonas vaginalis	CAMK family protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Leishmania infantum	protein kinase, putative,polo-like protein kinase, putative	Get druggable targets OG5_127396	All targets in OG5_127396
Trichomonas vaginalis	CAMK family protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Trichomonas vaginalis	CAMK family protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	Serine/threonine-protein kinase PLK1, putative	Get druggable targets OG5_127396	All targets in OG5_127396
Trichomonas vaginalis	CAMK family protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Echinococcus granulosus	serine:threonine protein kinase PLK1	Get druggable targets OG5_127396	All targets in OG5_127396
Candida albicans	protein serine/threonine kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Brugia malayi	serine/threonine-protein kinase plk-2	Get druggable targets OG5_127396	All targets in OG5_127396
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Leishmania braziliensis	protein kinase, putative,polo-like protein kinase, putative	Get druggable targets OG5_127396	All targets in OG5_127396
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
Trichomonas vaginalis	CAMK family protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
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
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Trichomonas vaginalis	CAMK family protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Trypanosoma brucei gambiense	polo-like protein kinase,protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Onchocerca volvulus	Serine\/threonine kinase homolog	Get druggable targets OG5_127396	All targets in OG5_127396
Trichomonas vaginalis	CAMK family protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Trypanosoma cruzi	polo-like protein kinase, putative	Get druggable targets OG5_127396	All targets in OG5_127396
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Giardia lamblia	Kinase, PLK	Get druggable targets OG5_127396	All targets in OG5_127396
Entamoeba histolytica	serine/threonine protein kinase, putative	Get druggable targets OG5_127396	All targets in OG5_127396
Schistosoma japonicum	ko:K06631 polo-like kinase 1, putative	Get druggable targets OG5_127396	All targets in OG5_127396
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Trichomonas vaginalis	CAMK family protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	Get druggable targets OG5_127396	All targets in OG5_127396
Candida albicans	protein serine/threonine kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Trypanosoma congolense	protein kinase, putative	Get druggable targets OG5_127396	All targets in OG5_127396
Loa Loa (eye worm)	PLK/PLK1 protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
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

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	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %
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
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.1315	0.1649
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0085	0.2101	0.8342
Echinococcus granulosus	neutral alpha glucosidase AB	0.0039	0.0643	0.0643
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0944	0.1184
Echinococcus granulosus	intermediate filament protein	0.0029	0.0325	0.0325
Loa Loa (eye worm)	hypothetical protein	0.0232	0.6816	0.8547
Schistosoma mansoni	hypothetical protein	0.0205	0.5929	0.7436
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0115	0.305	0.305
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.1298	0.0155
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0177	0.5034	0.5034
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0053	0.1071	0.1343
Echinococcus multilocularis	Polycystic kidney disease protein	0.0039	0.0629	0.0629
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0094	0.2403	1
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.005	0.1003	0.1716
Echinococcus granulosus	transcription factor Dp 1	0.0038	0.0591	0.0591
Echinococcus multilocularis	tumor protein p63	0.0332	1	1
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.005	0.1003	0.1716
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0056	0.1193	0.1496
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0056	0.1193	0.2482
Schistosoma mansoni	lipoxygenase	0.01	0.2599	0.3259
Mycobacterium ulcerans	glutaminase	0.0269	0.7974	1
Echinococcus granulosus	mitogen activated protein kinase	0.005	0.1003	0.1003
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0706	0.0886
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.005	0.1003	0.1258
Echinococcus granulosus	thioredoxin glutathione reductase	0.0038	0.0595	0.0595
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.017	0.4828	0.4828
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.1298	0.1628
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0039	0.0643	0.0895
Echinococcus multilocularis	lamin	0.0029	0.0325	0.0325
Trichomonas vaginalis	CAMK family protein kinase	0.0057	0.121	0.0773
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1156	0.1156
Loa Loa (eye worm)	glutaminase 2	0.0269	0.7974	1
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0085	0.2101	0.8342
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0629	0.0789
Brugia malayi	glutathione reductase	0.0037	0.0579	0.0726
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0056	0.1193	0.1496
Plasmodium vivax	multidomain scavenger receptor, putative	0.0039	0.0629	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1156	0.145
Onchocerca volvulus		0.0047	0.0906	0.213
Schistosoma mansoni	lipoxygenase	0.017	0.4828	0.6054
Schistosoma mansoni	rab6-interacting	0.0039	0.0629	0.0789
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0094	0.2403	1
Leishmania major	alpha glucosidase II subunit, putative	0.0039	0.0643	0.026
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0134	0.3661	0.3661
Schistosoma mansoni	alpha-glucosidase	0.0152	0.4248	0.5327
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1156	0.1156
Echinococcus multilocularis	geminin	0.0205	0.5929	0.5929
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0029	0.0325	0.0408
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0643	0.026
Trichomonas vaginalis	CAMK family protein kinase	0.0115	0.305	0.3284
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0115	0.305	0.3825
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0065	0.1464	0.3581
Echinococcus granulosus	lipoxygenase domain containing protein	0.0039	0.0629	0.0629
Brugia malayi	Intermediate filament tail domain containing protein	0.0029	0.0325	0.0408
Schistosoma mansoni	serine/threonine protein kinase	0.005	0.1003	0.1258
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0124	0.3344	0.3344
Echinococcus multilocularis	mitogen activated protein kinase 3	0.005	0.1003	0.1003
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0065	0.1464	0.1464
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0056	0.1193	0.3364
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0325	0.0408
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0065	0.1464	0.3581
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0177	0.5034	0.6312
Brugia malayi	hypothetical protein	0.0232	0.6816	0.8547
Brugia malayi	intermediate filament protein	0.0029	0.0325	0.0408
Echinococcus granulosus	RUN	0.0039	0.0629	0.0629
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0177	0.5034	0.5034
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.1315	0.1649
Mycobacterium tuberculosis	Probable oxidoreductase	0.0094	0.2403	1
Schistosoma mansoni	survival motor neuron protein	0.0047	0.0906	0.1136
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0643	0.026
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.006	0.1298	0.3941
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.005	0.1003	0.1716
Loa Loa (eye worm)	hypothetical protein	0.006	0.1315	0.1649
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.005	0.1003	0.5899
Mycobacterium tuberculosis	Probable dehydrogenase	0.0085	0.2101	0.8342
Trichomonas vaginalis	CAMK family protein kinase	0.0115	0.305	0.3284
Echinococcus granulosus	Polycystic kidney disease protein	0.0039	0.0629	0.0629
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.1315	0.1649
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0706	0.0886
Brugia malayi	Doublecortin family protein	0.0039	0.0629	0.0789
Echinococcus granulosus	lamin dm0	0.0029	0.0325	0.0325
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0056	0.1193	0.1193
Schistosoma mansoni	thyroid hormone receptor	0.0134	0.3661	0.4591
Onchocerca volvulus		0.0039	0.0629	0.1116
Brugia malayi	Thioredoxin reductase	0.0037	0.0579	0.0726
Schistosoma mansoni	hypothetical protein	0.0039	0.0629	0.0789
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.1003	0.0491
Echinococcus multilocularis	transcription factor Dp 1	0.0038	0.0591	0.0591
Loa Loa (eye worm)	glutaminase	0.0269	0.7974	1
Echinococcus multilocularis	mitogen activated protein kinase	0.005	0.1003	0.1003
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0115	0.305	0.305
Brugia malayi	MAP kinase sur-1	0.005	0.1003	0.1258
Trypanosoma cruzi	polo-like protein kinase, putative	0.0115	0.305	1
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.006	0.1298	0.2908
Echinococcus granulosus	geminin	0.0205	0.5929	0.5929
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.0906	0.1136
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.1003	0.0491
Trichomonas vaginalis	CAMK family protein kinase	0.0057	0.121	0.0773
Schistosoma mansoni	alpha glucosidase	0.0039	0.0643	0.0807
Schistosoma mansoni	serine/threonine protein kinase	0.0115	0.305	0.3825
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.1003	0.0491
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0056	0.1193	0.1193
Echinococcus multilocularis	lamin dm0	0.0029	0.0325	0.0325
Giardia lamblia	Kinase, PLK	0.0115	0.305	1
Echinococcus granulosus	lipoxygenase domain containing protein	0.0039	0.0629	0.0629
Trichomonas vaginalis	CAMK family protein kinase	0.0115	0.305	0.3284
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.005	0.1003	0.1716
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0039	0.0643	0.0643
Trichomonas vaginalis	glutaminase, putative	0.0269	0.7974	1
Brugia malayi	hypothetical protein	0.0039	0.0629	0.0789
Toxoplasma gondii	aldehyde dehydrogenase	0.006	0.1298	1
Schistosoma mansoni	cellular tumor antigen P53	0.0049	0.0944	0.1184
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0115	0.305	1
Schistosoma mansoni	glutaminase	0.0269	0.7974	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.1298	0.0155
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0115	0.305	1
Schistosoma mansoni	thyroid hormone receptor	0.0134	0.3661	0.4591
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.3998	0.5013
Schistosoma mansoni	loxhd1	0.0039	0.0629	0.0789
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.005	0.1003	0.1716
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0065	0.1464	0.1836
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1156	0.1156
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0085	0.2101	0.8342
Brugia malayi	MH2 domain containing protein	0.0144	0.3998	0.5013
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.1298	0.1628
Schistosoma mansoni	hypothetical protein	0.0041	0.0706	0.0886
Plasmodium falciparum	LCCL domain-containing protein	0.0039	0.0629	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.006	0.1298	0.1298
Onchocerca volvulus		0.0102	0.2655	0.8548
Loa Loa (eye worm)	glutathione reductase	0.0037	0.0579	0.0726
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.1156	0.145
Echinococcus granulosus	lysosomal alpha glucosidase	0.0177	0.5034	0.5034
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.005	0.1003	0.1716
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0177	0.5034	0.6312
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0039	0.0629	0.0629
Schistosoma mansoni	hypothetical protein	0.0124	0.3344	0.4194
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0039	0.0643	0.0807
Schistosoma mansoni	intermediate filament proteins	0.0029	0.0325	0.0408
Trypanosoma brucei	glucosidase, putative	0.0039	0.0643	0.026
Mycobacterium tuberculosis	Probable reductase	0.0085	0.2101	0.8342
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0094	0.2403	1
Loa Loa (eye worm)	doublecortin family protein	0.0039	0.0629	0.0789
Onchocerca volvulus		0.0049	0.0944	0.2271
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1156	0.145
Onchocerca volvulus		0.0039	0.0629	0.1116
Echinococcus multilocularis	musashi	0.0029	0.0325	0.0325
Echinococcus multilocularis	survival motor neuron protein 1	0.0232	0.6816	0.6816
Trichomonas vaginalis	CAMK family protein kinase	0.0115	0.305	0.3284
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0065	0.1464	0.1836
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0629	0.0789
Trichomonas vaginalis	CAMK family protein kinase	0.0115	0.305	0.3284
Trypanosoma brucei	polo-like protein kinase	0.0115	0.305	1
Echinococcus granulosus	survival motor neuron protein 1	0.0232	0.6816	0.6816
Schistosoma mansoni	lamin	0.0029	0.0325	0.0408
Echinococcus granulosus	lamin	0.0029	0.0325	0.0325
Loa Loa (eye worm)	intermediate filament protein	0.0029	0.0325	0.0408
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0039	0.0629	0.0629
Echinococcus multilocularis	RUN	0.0039	0.0629	0.0629
Brugia malayi	glutaminase DH11.1	0.0269	0.7974	1
Schistosoma mansoni	polycystin 1-related	0.0039	0.0629	0.0789
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0065	0.1464	0.1464
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0065	0.1464	0.3409
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0124	0.3344	0.3344
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0038	0.0595	0.0595
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0065	0.1464	0.3581
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.005	0.1003	0.1716
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.017	0.4828	0.4828
Trichomonas vaginalis	CAMK family protein kinase	0.0115	0.305	0.3284
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0308	0.0387
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0065	0.1464	0.1836
Schistosoma mansoni	rab6-interacting	0.0039	0.0629	0.0789
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0115	0.305	1
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.1003	0.0491
Brugia malayi	hypothetical protein	0.0039	0.0629	0.0789
Schistosoma mansoni	hypothetical protein	0.0205	0.5929	0.7436
Schistosoma mansoni	kinase	0.0058	0.1258	0.1578
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0039	0.0643	0.0807
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.1298	0.0155
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0065	0.1464	0.3581
Trypanosoma brucei	protein kinase, putative	0.005	0.1003	0.1716
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1156	0.145
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.3998	0.5013
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.006	0.1298	0.1298
Echinococcus granulosus	mitogen activated protein kinase 3	0.005	0.1003	0.1003
Brugia malayi	serine/threonine-protein kinase plk-2	0.0115	0.305	0.3825
Trichomonas vaginalis	CAMK family protein kinase	0.0115	0.305	0.3284
Schistosoma mansoni	hypothetical protein	0.0047	0.0906	0.1136
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.1156	0.145
Loa Loa (eye worm)	thioredoxin reductase	0.0037	0.0579	0.0726
Trypanosoma cruzi	polo-like protein kinase, putative	0.0115	0.305	1
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0085	0.2101	0.8342
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1156	0.1156
Schistosoma mansoni	alpha-glucosidase	0.0152	0.4248	0.5327
Schistosoma mansoni	lamin	0.0029	0.0325	0.0408

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.92 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)	1.2589 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)	10 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	13.3714 uM	PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	17.7828 uM	PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	20.5878 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)	20.7865 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)	31.6228 uM	PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771]	ChEMBL.	No reference
Potency (functional)	44.6684 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: Inhibitors of TCP-1 ring complex (TRiC) of Methanococcus maripaludis (MmCpn): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488991]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference

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: CHEMBL1383027

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1284885