TDR Targets

Basic information

Technical information

TDR Targets ID: 1340490
Name: 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin -1-yl]ethyl]-7-nitro-4H-1,4-benzoxazin-3-one
MW: 440.449 | Formula: C22H24N4O6
H donors: 1 H acceptors: 3 LogP: 2.25 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C1Nc2ccc(cc2OC1CCN1CCN(CC1)Cc1ccc2c(c1)OCO2)[N+](=O)[O-]
InChi: 1S/C22H24N4O6/c27-22-19(32-20-12-16(26(28)29)2-3-17(20)23-22)5-6-24-7-9-25(10-8-24)13-15-1-4-18-21(11-15)31-14-30-18/h1-4,11-12,19H,5-10,13-14H2,(H,23,27)
InChiKey: OPDDWGLLAKNNEI-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-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]ethyl]-7-nitro-4H-1,4-benzoxazin-3-one
5W-0234
2-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]ethyl}-7-nitro-2H-1,4-benzoxazin-3(4H)-one
MLS000763912
SMR000336546

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Homo sapiens	muscleblind-like splicing regulator 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	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
Echinococcus granulosus	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	Muscleblind-like protein	Get druggable targets OG5_132352	All targets in OG5_132352
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)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	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)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Echinococcus multilocularis	muscleblind protein 1	Get druggable targets OG5_132352	All targets in OG5_132352
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

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
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0034	0.0621	0.868
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1099	0.282
Trypanosoma brucei	threonyl-tRNA synthetase, putative	0.0006	0.0016	0.0218
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1099	0.282
Giardia lamblia	Lysyl-tRNA synthetase	0.0024	0.0414	0.6849
Mycobacterium leprae	Probable prolyl tRNA synthetase ProS	0.0032	0.0597	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0414	0.1036
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0033	0.0611	0.1551
Brugia malayi	Major Facilitator Superfamily protein	0.0015	0.0217	0.0523
Trypanosoma cruzi	threonyl-tRNA synthetase, putative	0.0006	0.0016	0.0218
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1099	0.4815
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0217	0.0523
Echinococcus granulosus	solute carrier family 22	0.0015	0.0217	0.0523
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0015	0.0217	0.0523
Echinococcus granulosus	muscleblind protein	0.018	0.3857	1
Onchocerca volvulus		0.0015	0.0217	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1099	0.282
Entamoeba histolytica	protein kinase, putative	0.0033	0.0611	1
Trichomonas vaginalis	glucose transporter, putative	0.0034	0.0621	0.274
Schistosoma mansoni	lysyl-tRNA synthetase	0.0024	0.0414	0.1769
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Trypanosoma cruzi	hexose transporter, putative	0.0034	0.0621	0.868
Brugia malayi	major facilitator superfamily protein	0.0015	0.0217	0.0523
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Treponema pallidum	prolyl-tRNA synthetase	0.0011	0.0134	1
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Leishmania major	glucose transporter, lmgt3	0.0034	0.0621	0.868
Schistosoma mansoni	glucose transport protein	0.0108	0.2266	1
Loa Loa (eye worm)	bifunctional aminoacyl-tRNA synthetase	0.0013	0.0175	0.0415
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 2 LysX	0.0021	0.0333	1
Plasmodium falciparum	protein kinase 7	0.0306	0.6617	0.6612
Schistosoma mansoni	protein kinase	0.0033	0.0611	0.2648
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.1099	0.282
Toxoplasma gondii	lysine-tRNA ligase	0.0024	0.0414	0.0625
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Onchocerca volvulus		0.0015	0.0217	0.5
Brugia malayi	Sugar transporter family protein	0.0015	0.0217	0.0523
Trichomonas vaginalis	myo-inositol transporter, putative	0.0015	0.0217	0.0956
Trypanosoma cruzi	hexose transporter, putative	0.0034	0.0621	0.868
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0021	0.0348	0.1536
Echinococcus multilocularis	synaptic vesicle 2 protein	0.0015	0.0217	0.0523
Brugia malayi	Sugar transporter family protein	0.0108	0.2266	0.5857
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0024	0.0414	1
Loa Loa (eye worm)	sugar transporter	0.0015	0.0217	0.0523
Mycobacterium tuberculosis	Probable conserved integral membrane transport protein	0.0015	0.0217	0.6499
Echinococcus granulosus	calcium dependent protein kinase	0.0031	0.0566	0.1434
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0217	0.0523
Mycobacterium ulcerans	sugar-transport integral membrane protein SugI	0.0015	0.0217	0.5239
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0108	0.2266	0.5857
Plasmodium vivax	mitogen-activated protein kinase 2, putative	0.0175	0.3734	0.3724
Onchocerca volvulus	Putative transporter	0.0015	0.0217	0.5
Loa Loa (eye worm)	hypothetical protein	0.018	0.3857	1
Toxoplasma gondii	facilitative glucose transporter GT1	0.0108	0.2266	0.3424
Trypanosoma cruzi	hexose transporter	0.0034	0.0621	0.868
Plasmodium falciparum	calcium-dependent protein kinase 4	0.0033	0.0612	0.0597
Onchocerca volvulus		0.0015	0.0217	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0217	0.0956
Trypanosoma brucei	lysyl-tRNA synthetase, putative	0.0024	0.0414	0.5783
Echinococcus granulosus	synaptic vesicle 2 protein	0.0015	0.0217	0.0523
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0032	0.0597	0.2583
Echinococcus multilocularis	Sugar transporter ERD6 protein	0.0015	0.0217	0.0523
Onchocerca volvulus		0.0015	0.0217	0.5
Trypanosoma brucei	glucose transporter, putative	0.0034	0.0621	0.868
Mycobacterium leprae	Probable lysyl-tRNA synthase LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.0021	0.0333	0.5587
Mycobacterium ulcerans	threonyl-tRNA synthetase	0.0006	0.0016	0.0377
Onchocerca volvulus		0.0015	0.0217	0.5
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0038	0.0715	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0217	0.0523
Trichomonas vaginalis	sugar transporter, putative	0.0034	0.0621	0.274
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0217	0.0523
Onchocerca volvulus		0.0015	0.0217	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0463	0.1164
Leishmania major	glucose transporter, lmgt1	0.0034	0.0621	0.868
Echinococcus multilocularis	glutamyl tRNA synthetase cytoplasmic	0.0032	0.0597	0.1513
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0033	0.0611	0.1551
Toxoplasma gondii	threonyl-tRNA synthetase family protein	0.0006	0.0016	0.0024
Brugia malayi	major facilitator superfamily protein	0.0015	0.0217	0.0523
Toxoplasma gondii	calcium-dependent protein kinase CDPK2B	0.0033	0.0612	0.0925
Plasmodium falciparum	calcium-dependent protein kinase 1	0.0033	0.0612	0.0597
Plasmodium falciparum	calcium-dependent protein kinase 3	0.0033	0.0612	0.0597
Leishmania major	protein kinase, putative	0.0033	0.0611	0.855
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0108	0.2266	0.5857
Brugia malayi	lysyl-tRNA synthetase	0.0024	0.0414	0.1036
Mycobacterium tuberculosis	Probable threonyl-tRNA synthetase ThrS (threonine-tRNA synthetase)(ThrRS) (threonine-tRNA ligase)	0.0006	0.0016	0.0468
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0217	0.0956
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0108	0.2266	0.5857
Trypanosoma brucei	calcium/calmodulin-dependent protein kinase, putative	0.0033	0.0611	0.855
Onchocerca volvulus		0.0015	0.0217	0.5
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0033	0.0611	0.1551
Onchocerca volvulus		0.0015	0.0217	0.5
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0015	0.0217	0.0523
Schistosoma mansoni	sugar transporter	0.0015	0.0217	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Trypanosoma cruzi	lysyl-tRNA synthetase, putative	0.0024	0.0414	0.5783
Echinococcus multilocularis	muscleblind protein	0.018	0.3857	1
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Brugia malayi	hypothetical protein	0.0015	0.0217	0.0523
Mycobacterium ulcerans	integral membrane transport protein	0.0015	0.0217	0.5239
Echinococcus multilocularis	solute carrier family 22	0.0015	0.0217	0.0523
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Schistosoma mansoni	sugar transporter	0.0015	0.0217	0.0894
Mycobacterium ulcerans	sugar transporter	0.0015	0.0217	0.5239
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0108	0.2266	0.5857
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0033	0.0611	0.1551
Plasmodium falciparum	calcium-dependent protein kinase 2	0.0033	0.0612	0.0597
Mycobacterium ulcerans	prolyl-tRNA synthetase	0.0011	0.0134	0.3243
Trypanosoma brucei	glucose transporter 1E	0.0034	0.0621	0.868
Giardia lamblia	Sugar-proton symporter	0.0015	0.0217	0.346
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0217	0.0523
Schistosoma mansoni	protein kinase	0.0033	0.0611	0.2648
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0108	0.2266	0.5857
Trypanosoma brucei	glucose transporter, putative	0.0034	0.0621	0.868
Echinococcus multilocularis	solute carrier family 22	0.0015	0.0217	0.0523
Toxoplasma gondii	sugar transporter ST2	0.0015	0.0217	0.0327
Mycobacterium tuberculosis	Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter)	0.0015	0.0217	0.6499
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0108	0.2266	0.5857
Plasmodium vivax	CDK-related protein kinase 6, putative	0.0459	1	1
Brugia malayi	hypothetical protein	0.0015	0.0217	0.0523
Leishmania major	threonyl-tRNA synthetase, putative	0.0006	0.0016	0.0218
Schistosoma mansoni	nuclear transcription factor X-box binding 1 (nfx1)	0.0015	0.0217	0.0894
Plasmodium falciparum	mitogen-activated protein kinase 2	0.0175	0.3734	0.3724
Echinococcus granulosus	solute carrier family 22	0.0015	0.0217	0.0523
Chlamydia trachomatis	lysine--tRNA ligase	0.0024	0.0414	1
Brugia malayi	Cam kinase protein 1	0.0033	0.0611	0.1551
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Giardia lamblia	Hexose transporter	0.0015	0.0217	0.346
Plasmodium falciparum	major facilitator superfamily domain-containing protein, putative	0.0015	0.0217	0.0201
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Plasmodium vivax	sugar transporter, putative	0.0015	0.0217	0.0201
Toxoplasma gondii	cell-cycle-associated protein kinase MAPK, putative	0.0175	0.3734	0.5643
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0033	0.0611	0.1551
Trichomonas vaginalis	CAMK family protein kinase	0.0033	0.0611	0.2699
Loa Loa (eye worm)	CAMK/CAMK2 protein kinase	0.0033	0.0611	0.1551
Plasmodium falciparum	calcium-dependent protein kinase 5	0.0033	0.0612	0.0597
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase ID	0.0033	0.0611	0.1551
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.0032	0.0597	0.1513
Echinococcus granulosus	General substrate transporter	0.0093	0.193	0.4984
Trypanosoma brucei	glucose transporter 2A	0.0034	0.0621	0.868
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Echinococcus multilocularis	General substrate transporter	0.0093	0.193	0.4984
Trichomonas vaginalis	threonyl-tRNA synthetase, putative	0.0006	0.0016	0.0069
Leishmania major	lysyl-tRNA synthetase, putative	0.0024	0.0414	0.5783
Onchocerca volvulus		0.0015	0.0217	0.5
Echinococcus granulosus	solute carrier family 22	0.0015	0.0217	0.0523
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0108	0.2266	0.5857
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0034	0.0621	0.868
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type 1	0.0033	0.0611	0.1551
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0033	0.0611	0.1551
Schistosoma mansoni	glucose transport protein	0.0108	0.2266	1
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0108	0.2266	0.5857
Trypanosoma cruzi	threonyl-tRNA synthetase, putative	0.0006	0.0016	0.0218
Entamoeba histolytica	prolyl-tRNA synthetase, putative	0.0032	0.0597	0.9752
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0217	0.0523
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0038	0.0715	1
Plasmodium vivax	calcium-dependent protein kinase 3, putative	0.0033	0.0612	0.0597
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0032	0.0597	0.2583
Onchocerca volvulus		0.0015	0.0217	0.5
Toxoplasma gondii	sugar transporter ST3	0.0015	0.0217	0.0327
Schistosoma mansoni	sugar transporter	0.0015	0.0217	0.0894
Brugia malayi	hypothetical protein	0.0015	0.0217	0.0523
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Chlamydia trachomatis	proline--tRNA ligase	0.0011	0.0134	0.2978
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0038	0.0715	1
Loa Loa (eye worm)	hypothetical protein	0.018	0.3857	1
Plasmodium vivax	calcium-dependent protein kinase, putative	0.0033	0.0612	0.0597
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Trypanosoma brucei	glucose transporter, putative	0.0034	0.0621	0.868
Schistosoma mansoni	hypothetical protein	0.0108	0.2266	1
Leishmania major	glucose transporter, lmgt2	0.0034	0.0621	0.868
Mycobacterium ulcerans	glycyl-tRNA synthetase	0.0006	0.0016	0.0377
Trypanosoma cruzi	hexose transporter, putative	0.0034	0.0621	0.868
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0217	0.0523
Schistosoma mansoni	sugar transporter	0.0015	0.0217	0.0894
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0217	0.0956
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0217	0.0523
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0597	0.1513
Plasmodium vivax	hexose transporter	0.0108	0.2266	0.2253
Echinococcus granulosus	lysyl tRNA synthetase	0.0024	0.0414	0.1036
Trypanosoma brucei	glucose transporter, putative	0.0034	0.0621	0.868
Onchocerca volvulus		0.0015	0.0217	0.5
Toxoplasma gondii	sugar transporter ST1	0.0015	0.0217	0.0327
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0024	0.0414	1
Trypanosoma brucei	glucose transporter, putative	0.0034	0.0621	0.868
Toxoplasma gondii	calcium-dependent protein kinase CDPK2A	0.0033	0.0612	0.0925
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0217	0.0523
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Trichomonas vaginalis	sugar transporter, putative	0.0034	0.0621	0.274
Loa Loa (eye worm)	sugar transporter	0.0108	0.2266	0.5857
Plasmodium vivax	calcium-dependent protein kinase 4, putative	0.0033	0.0612	0.0597
Onchocerca volvulus		0.0015	0.0217	0.5
Brugia malayi	Major Facilitator Superfamily protein	0.0015	0.0217	0.0523
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.1099	0.282
Plasmodium falciparum	lysine--tRNA ligase	0.0024	0.0414	0.0399
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Echinococcus multilocularis	muscleblind protein 1	0.018	0.3857	1
Trichomonas vaginalis	conserved hypothetical protein	0.0108	0.2266	1
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0034	0.0621	0.868
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1099	0.282
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1099	0.4815
Onchocerca volvulus		0.0015	0.0217	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Leishmania major	myo-inositol/proton symporter (MIT)	0.0015	0.0217	0.303
Trypanosoma brucei	myo-inositol/proton symporter (MIT)	0.0015	0.0217	0.303
Trypanosoma brucei	bifunctional aminoacyl-tRNA synthetase, putative	0.0038	0.0715	1
Toxoplasma gondii	protein kinase, putative	0.0306	0.6617	1
Brugia malayi	Muscleblind-like protein	0.018	0.3857	1
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0038	0.0715	1
Trichomonas vaginalis	sugar transporter, putative	0.0034	0.0621	0.274
Trypanosoma brucei	glucose transporter, putative	0.0034	0.0621	0.868
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Wolbachia endosymbiont of Brugia malayi	major facilitator superfamily permease	0.0015	0.0217	1
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0217	0.0523
Plasmodium vivax	proline--tRNA ligase, putative	0.0038	0.0715	0.0701
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Trypanosoma cruzi	glucose transporter, putative	0.0015	0.0217	0.303
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0611	0.1551
Trypanosoma brucei	sugar transporter, putative	0.0015	0.0217	0.303
Plasmodium vivax	calcium-dependent protein kinase 1, putative	0.0033	0.0612	0.0597
Onchocerca volvulus		0.0015	0.0217	0.5
Leishmania major	hypothetical protein, conserved	0.0015	0.0217	0.303
Trypanosoma cruzi	hexose transporter, putative	0.0018	0.0286	0.3994
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.0021	0.0333	1
Mycobacterium ulcerans	fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT	0.0015	0.0217	0.5239
Echinococcus granulosus	Sugar transporter ERD6 protein	0.0015	0.0217	0.0523
Entamoeba histolytica	protein kinase, putative	0.0033	0.0611	1
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0033	0.0611	0.1551
Schistosoma mansoni	glucose transport protein	0.0108	0.2266	1
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0597	0.1513
Mycobacterium leprae	Possible lysyl-tRNA synthetase 2 LysX	0.0024	0.0414	0.6932
Schistosoma mansoni	serine/threonine protein kinase	0.0033	0.0611	0.2648
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0217	0.0523
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0033	0.0611	0.1551
Trypanosoma brucei	glycyl-tRNA synthetase, putative	0.0006	0.0016	0.0218
Trichomonas vaginalis	prolyl-tRNA synthetase, putative	0.0032	0.0597	0.2634
Entamoeba histolytica	hypothetical protein	0.0024	0.0414	0.6679
Plasmodium vivax	lysine--tRNA ligase, putative	0.0024	0.0414	0.0399
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Toxoplasma gondii	calcium-dependent protein kinase CDPK3	0.0033	0.0612	0.0925
Echinococcus granulosus	solute carrier family 22	0.0015	0.0217	0.0523
Brugia malayi	Major Facilitator Superfamily protein	0.0015	0.0217	0.0523
Trichomonas vaginalis	glucose transporter, putative	0.0034	0.0621	0.274
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Mycobacterium leprae	Probable threonyl-tRNA synthetase ThrS (threonine-tRNA synthetase) (ThrRS) (Threonine-tRNA ligase)	0.0006	0.0016	0.0262
Echinococcus multilocularis	solute carrier family 22	0.0015	0.0217	0.0523
Schistosoma mansoni	lysyl-tRNA synthetase	0.0024	0.0414	0.1769
Trichomonas vaginalis	sugar transport protein, putative	0.0015	0.0217	0.0956
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0217	0.0956
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0217	0.0523
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0217	0.0956
Trypanosoma brucei	glucose transporter, putative	0.0034	0.0621	0.868
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Echinococcus multilocularis	solute carrier family 22	0.0015	0.0217	0.0523
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Brugia malayi	Sugar transporter family protein	0.0015	0.0217	0.0523
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0217	0.0523
Trichomonas vaginalis	glucose transporter, putative	0.0015	0.0217	0.0956
Schistosoma mansoni	protein kinase	0.0033	0.0611	0.2648
Echinococcus multilocularis	lysyl tRNA synthetase	0.0024	0.0414	0.1036
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0217	0.0523
Toxoplasma gondii	prolyl-tRNA synthetase (ProRS)	0.0038	0.0715	0.1081
Plasmodium falciparum	hexose transporter	0.0108	0.2266	0.2253
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.0621	0.274
Onchocerca volvulus		0.0015	0.0217	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.0621	0.274
Brugia malayi	Bifunctional aminoacyl-tRNA synthetase	0.0032	0.0597	0.1513
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Onchocerca volvulus		0.0015	0.0217	0.5
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0217	0.0523
Plasmodium falciparum	proline--tRNA ligase	0.0038	0.0715	0.0701
Giardia lamblia	Prolyl-tRNA synthetase	0.0032	0.0597	1
Trypanosoma cruzi	hexose transporter, putative	0.0015	0.0217	0.303
Schistosoma mansoni	glucose transporter	0.0015	0.0217	0.0894
Echinococcus granulosus	glutamyl tRNA synthetase cytoplasmic	0.0032	0.0597	0.1513
Trypanosoma brucei	glucose transporter, putative	0.0034	0.0621	0.868
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0034	0.0621	0.868
Trypanosoma cruzi	sugar transporter, putative	0.0015	0.0217	0.303
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0024	0.0414	0.1826
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Toxoplasma gondii	glycyl-tRNA synthetase	0.0006	0.0016	0.0024
Echinococcus multilocularis	calcium dependent protein kinase	0.0031	0.0566	0.1434
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1099	0.4815
Toxoplasma gondii	transporter, major facilitator family protein	0.0015	0.0217	0.0327

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	7.9433 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 (binding)	15.8489 uM	PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	22.3872 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	= 25.1189 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)]	ChEMBL.	No reference
Potency (binding)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]	ChEMBL.	No reference
Potency (functional)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	44.6684 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402]	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	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
Potency (functional)	112.2018 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273]	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: CHEMBL1482237

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1340490