TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 492.592 | Formula: C22H32N6O5S
H donors: 2 H acceptors: 5 LogP: 0.54 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CCCCn1c(=O)[nH]c(=O)c(c1N)N(C(=O)c1cccc(c1)S(=O)(=O)N1CCN(CC1)C)CC
InChi: 1S/C22H32N6O5S/c1-4-6-10-28-19(23)18(20(29)24-22(28)31)27(5-2)21(30)16-8-7-9-17(15-16)34(32,33)26-13-11-25(3)12-14-26/h7-9,15H,4-6,10-14,23H2,1-3H3,(H,24,29,31)
InChiKey: KSJWAMSVBPTVPQ-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	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 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 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)	GTP-binding regulatory protein Gs alpha-S chain	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
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
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 %
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
Echinococcus multilocularis	calcium dependent protein kinase	0.003	0.0552	0.1219
Entamoeba histolytica	prolyl-tRNA synthetase, putative	0.0031	0.0582	0.9752
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Toxoplasma gondii	transporter, major facilitator family protein	0.0015	0.0201	0.0305
Onchocerca volvulus		0.0015	0.0201	0.5
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0105	0.2253	0.4979
Trichomonas vaginalis	conserved hypothetical protein	0.0105	0.2253	1
Trichomonas vaginalis	glucose transporter, putative	0.0033	0.0606	0.269
Loa Loa (eye worm)	sugar transporter	0.0015	0.0201	0.0894
Mycobacterium leprae	Probable prolyl tRNA synthetase ProS	0.0031	0.0582	1
Plasmodium vivax	calcium-dependent protein kinase 1, putative	0.0032	0.0597	0.0597
Echinococcus granulosus	geminin	0.0205	0.4526	1
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0037	0.0701	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Brugia malayi	major facilitator superfamily protein	0.0015	0.0201	0.0894
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0201	0.0894
Trypanosoma cruzi	hexose transporter, putative	0.0033	0.0606	0.8651
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1124	0.2483
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0031	0.0582	0.1286
Schistosoma mansoni	protein kinase	0.0032	0.0597	0.1319
Plasmodium vivax	calcium-dependent protein kinase 4, putative	0.0032	0.0597	0.0597
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0032	0.0597	0.1319
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0032	0.0597	0.1319
Plasmodium vivax	calcium-dependent protein kinase 3, putative	0.0032	0.0597	0.0597
Leishmania major	glucose transporter, lmgt2	0.0033	0.0606	0.8651
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0105	0.2253	0.4979
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0032	0.0597	0.1319
Toxoplasma gondii	calcium-dependent protein kinase CDPK3	0.0032	0.0597	0.0903
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0201	0.0894
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1124	0.2483
Schistosoma mansoni	sugar transporter	0.0015	0.0201	0.0445
Onchocerca volvulus		0.0015	0.0201	0.5
Trypanosoma cruzi	lysyl-tRNA synthetase, putative	0.0023	0.0399	0.5689
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Onchocerca volvulus		0.0015	0.0201	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Loa Loa (eye worm)	bifunctional aminoacyl-tRNA synthetase	0.0013	0.016	0.0709
Schistosoma mansoni	lysyl-tRNA synthetase	0.0023	0.0399	0.0881
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.1124	0.4986
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Plasmodium falciparum	calcium-dependent protein kinase 5	0.0032	0.0597	0.0597
Loa Loa (eye worm)	sugar transporter	0.0105	0.2253	1
Trypanosoma cruzi	hexose transporter, putative	0.0033	0.0606	0.8651
Echinococcus multilocularis	solute carrier family 22	0.0015	0.0201	0.0445
Mycobacterium tuberculosis	Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter)	0.0015	0.0201	0.6328
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.0606	0.269
Plasmodium falciparum	proline--tRNA ligase	0.0037	0.0701	0.0701
Toxoplasma gondii	protein kinase, putative	0.0296	0.6612	1
Toxoplasma gondii	cell-cycle-associated protein kinase MAPK, putative	0.0169	0.3724	0.5632
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0037	0.0701	1
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1124	0.2483
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Onchocerca volvulus		0.0015	0.0201	0.5
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0037	0.0701	1
Trypanosoma brucei	glucose transporter, putative	0.0033	0.0606	0.8651
Plasmodium falciparum	mitogen-activated protein kinase 2	0.0169	0.3724	0.3724
Schistosoma mansoni	glucose transport protein	0.0105	0.2253	0.4979
Mycobacterium ulcerans	sugar transporter	0.0015	0.0201	0.5052
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type 1	0.0032	0.0597	0.1319
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0031	0.0582	0.1286
Brugia malayi	hypothetical protein	0.0015	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Echinococcus granulosus	solute carrier family 22	0.0015	0.0201	0.0445
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0033	0.0606	0.8651
Schistosoma mansoni	hypothetical protein	0.0105	0.2253	0.4979
Trypanosoma brucei	glucose transporter, putative	0.0033	0.0606	0.8651
Toxoplasma gondii	calcium-dependent protein kinase CDPK2A	0.0032	0.0597	0.0903
Trypanosoma brucei	glucose transporter 2A	0.0033	0.0606	0.8651
Mycobacterium ulcerans	fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT	0.0015	0.0201	0.5052
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Plasmodium vivax	lysine--tRNA ligase, putative	0.0023	0.0399	0.0399
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0105	0.2253	0.4979
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0023	0.0399	1
Echinococcus granulosus	synaptic vesicle 2 protein	0.0015	0.0201	0.0445
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.0606	0.269
Onchocerca volvulus		0.0015	0.0201	0.5
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0032	0.0597	0.1319
Onchocerca volvulus	Putative transporter	0.0015	0.0201	0.5
Plasmodium falciparum	calcium-dependent protein kinase 4	0.0032	0.0597	0.0597
Plasmodium falciparum	lysine--tRNA ligase	0.0023	0.0399	0.0399
Echinococcus granulosus	glutamyl tRNA synthetase cytoplasmic	0.0031	0.0582	0.1286
Leishmania major	lysyl-tRNA synthetase, putative	0.0023	0.0399	0.5689
Leishmania major	protein kinase, putative	0.0032	0.0597	0.8517
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Echinococcus granulosus	calcium dependent protein kinase	0.003	0.0552	0.1219
Brugia malayi	lysyl-tRNA synthetase	0.0023	0.0399	0.1769
Leishmania major	hypothetical protein, conserved	0.0015	0.0201	0.2874
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Toxoplasma gondii	sugar transporter ST1	0.0015	0.0201	0.0305
Plasmodium vivax	calcium-dependent protein kinase, putative	0.0032	0.0597	0.0597
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Trypanosoma brucei	glucose transporter, putative	0.0033	0.0606	0.8651
Plasmodium vivax	proline--tRNA ligase, putative	0.0037	0.0701	0.0701
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Toxoplasma gondii	sugar transporter ST3	0.0015	0.0201	0.0305
Schistosoma mansoni	protein kinase	0.0032	0.0597	0.1319
Brugia malayi	Sugar transporter family protein	0.0105	0.2253	1
Schistosoma mansoni	protein kinase	0.0032	0.0597	0.1319
Giardia lamblia	Hexose transporter	0.0015	0.0201	0.346
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Plasmodium falciparum	calcium-dependent protein kinase 3	0.0032	0.0597	0.0597
Brugia malayi	major facilitator superfamily protein	0.0015	0.0201	0.0894
Trypanosoma cruzi	hexose transporter, putative	0.0018	0.027	0.386
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Leishmania major	myo-inositol/proton symporter (MIT)	0.0015	0.0201	0.2874
Onchocerca volvulus		0.0015	0.0201	0.5
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0582	0.2583
Leishmania major	glucose transporter, lmgt3	0.0033	0.0606	0.8651
Echinococcus multilocularis	synaptic vesicle 2 protein	0.0015	0.0201	0.0445
Trypanosoma brucei	glucose transporter, putative	0.0033	0.0606	0.8651
Trypanosoma brucei	bifunctional aminoacyl-tRNA synthetase, putative	0.0037	0.0701	1
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.0031	0.0582	0.2583
Trypanosoma brucei	myo-inositol/proton symporter (MIT)	0.0015	0.0201	0.2874
Onchocerca volvulus		0.0015	0.0201	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Chlamydia trachomatis	proline--tRNA ligase	0.0011	0.0119	0.2978
Schistosoma mansoni	nuclear transcription factor X-box binding 1 (nfx1)	0.0015	0.0201	0.0445
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1124	0.2483
Plasmodium vivax	sugar transporter, putative	0.0015	0.0201	0.0201
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0201	0.0894
Giardia lamblia	Lysyl-tRNA synthetase	0.0023	0.0399	0.6849
Chlamydia trachomatis	lysine--tRNA ligase	0.0023	0.0399	1
Toxoplasma gondii	sugar transporter ST2	0.0015	0.0201	0.0305
Brugia malayi	Major Facilitator Superfamily protein	0.0015	0.0201	0.0894
Echinococcus multilocularis	Sugar transporter ERD6 protein	0.0015	0.0201	0.0445
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Echinococcus multilocularis	lysyl tRNA synthetase	0.0023	0.0399	0.0881
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.0606	0.269
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0015	0.0201	0.0894
Giardia lamblia	Sugar-proton symporter	0.0015	0.0201	0.346
Brugia malayi	hypothetical protein	0.0015	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.0606	0.269
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Schistosoma mansoni	glucose transport protein	0.0105	0.2253	0.4979
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0037	0.0701	1
Giardia lamblia	Prolyl-tRNA synthetase	0.0031	0.0582	1
Trypanosoma brucei	glucose transporter, putative	0.0033	0.0606	0.8651
Onchocerca volvulus		0.0015	0.0201	0.5
Trypanosoma brucei	glucose transporter, putative	0.0033	0.0606	0.8651
Echinococcus granulosus	solute carrier family 22	0.0015	0.0201	0.0445
Trypanosoma brucei	lysyl-tRNA synthetase, putative	0.0023	0.0399	0.5689
Brugia malayi	Major Facilitator Superfamily protein	0.0015	0.0201	0.0894
Trichomonas vaginalis	CAMK family protein kinase	0.0032	0.0597	0.2648
Echinococcus granulosus	solute carrier family 22	0.0015	0.0201	0.0445
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0015	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Trypanosoma brucei	sugar transporter, putative	0.0015	0.0201	0.2874
Schistosoma mansoni	lysyl-tRNA synthetase	0.0023	0.0399	0.0881
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Trypanosoma brucei	glucose transporter 1E	0.0033	0.0606	0.8651
Echinococcus multilocularis	geminin	0.0205	0.4526	1
Entamoeba histolytica	protein kinase, putative	0.0032	0.0597	1
Toxoplasma gondii	prolyl-tRNA synthetase (ProRS)	0.0037	0.0701	0.106
Trichomonas vaginalis	glucose transporter, putative	0.0033	0.0606	0.269
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Treponema pallidum	prolyl-tRNA synthetase	0.0011	0.0119	1
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0105	0.2253	0.4979
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Schistosoma mansoni	serine/threonine protein kinase	0.0032	0.0597	0.1319
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0399	0.1769
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0582	0.2583
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1124	0.2483
Trypanosoma cruzi	hexose transporter, putative	0.0033	0.0606	0.8651
Mycobacterium leprae	Possible lysyl-tRNA synthetase 2 LysX	0.0023	0.0399	0.6849
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1124	0.2483
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Schistosoma mansoni	sugar transporter	0.0015	0.0201	0.0445
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0032	0.0597	0.2648
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.1124	0.4986
Trichomonas vaginalis	myo-inositol transporter, putative	0.0015	0.0201	0.0894
Mycobacterium ulcerans	integral membrane transport protein	0.0015	0.0201	0.5052
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0023	0.0399	1
Trypanosoma cruzi	glucose transporter, putative	0.0015	0.0201	0.2874
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0448	0.1987
Echinococcus multilocularis	solute carrier family 22	0.0015	0.0201	0.0445
Plasmodium falciparum	hexose transporter	0.0105	0.2253	0.2253
Mycobacterium leprae	Probable lysyl-tRNA synthase LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.002	0.0318	0.5469
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase ID	0.0032	0.0597	0.2648
Schistosoma mansoni	hypothetical protein	0.0205	0.4526	1
Trypanosoma cruzi	hexose transporter	0.0033	0.0606	0.8651
Echinococcus multilocularis	General substrate transporter	0.009	0.1918	0.4237
Onchocerca volvulus		0.0015	0.0201	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Plasmodium vivax	hexose transporter	0.0105	0.2253	0.2253
Wolbachia endosymbiont of Brugia malayi	major facilitator superfamily permease	0.0015	0.0201	1
Brugia malayi	Sugar transporter family protein	0.0015	0.0201	0.0894
Onchocerca volvulus		0.0015	0.0201	0.5
Plasmodium vivax	mitogen-activated protein kinase 2, putative	0.0169	0.3724	0.3724
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1124	0.2483
Onchocerca volvulus		0.0015	0.0201	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 2 LysX	0.002	0.0318	1
Plasmodium falciparum	calcium-dependent protein kinase 2	0.0032	0.0597	0.0597
Plasmodium falciparum	protein kinase 7	0.0296	0.6612	0.6612
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Trichomonas vaginalis	sugar transport protein, putative	0.0015	0.0201	0.0894
Trypanosoma brucei	glucose transporter, putative	0.0033	0.0606	0.8651
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0597	0.2648
Onchocerca volvulus		0.0015	0.0201	0.5
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0032	0.0597	0.1319
Plasmodium falciparum	calcium-dependent protein kinase 1	0.0032	0.0597	0.0597
Echinococcus multilocularis	glutamyl tRNA synthetase cytoplasmic	0.0031	0.0582	0.1286
Echinococcus multilocularis	solute carrier family 22	0.0015	0.0201	0.0445
Loa Loa (eye worm)	CAMK/CAMK2 protein kinase	0.0032	0.0597	0.2648
Schistosoma mansoni	sugar transporter	0.0015	0.0201	0.0445
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0105	0.2253	0.4979
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Entamoeba histolytica	protein kinase, putative	0.0032	0.0597	1
Onchocerca volvulus		0.0015	0.0201	0.5
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Toxoplasma gondii	lysine-tRNA ligase	0.0023	0.0399	0.0603
Schistosoma mansoni	glucose transport protein	0.0105	0.2253	0.4979
Trypanosoma cruzi	sugar transporter, putative	0.0015	0.0201	0.2874
Onchocerca volvulus		0.0015	0.0201	0.5
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0033	0.0606	0.8651
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.002	0.0318	1
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.0606	0.269
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0033	0.0606	0.8651
Brugia malayi	Major Facilitator Superfamily protein	0.0015	0.0201	0.0894
Echinococcus granulosus	lysyl tRNA synthetase	0.0023	0.0399	0.0881
Brugia malayi	Bifunctional aminoacyl-tRNA synthetase	0.0031	0.0582	0.2583
Trypanosoma cruzi	hexose transporter, putative	0.0015	0.0201	0.2874
Echinococcus granulosus	solute carrier family 22	0.0015	0.0201	0.0445
Trypanosoma brucei	calcium/calmodulin-dependent protein kinase, putative	0.0032	0.0597	0.8517
Trichomonas vaginalis	prolyl-tRNA synthetase, putative	0.0031	0.0582	0.2583
Trichomonas vaginalis	glucose transporter, putative	0.0015	0.0201	0.0894
Brugia malayi	Sugar transporter family protein	0.0015	0.0201	0.0894
Echinococcus multilocularis	solute carrier family 22	0.0015	0.0201	0.0445
Leishmania major	glucose transporter, lmgt1	0.0033	0.0606	0.8651
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0023	0.0399	0.1769
Brugia malayi	hypothetical protein	0.0015	0.0201	0.0894
Plasmodium vivax	CDK-related protein kinase 6, putative	0.0445	1	1
Onchocerca volvulus		0.0015	0.0201	0.5
Echinococcus granulosus	General substrate transporter	0.009	0.1918	0.4237
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Schistosoma mansoni	sugar transporter	0.0015	0.0201	0.0445
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0105	0.2253	0.4979
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0201	0.0894
Plasmodium falciparum	major facilitator superfamily domain-containing protein, putative	0.0015	0.0201	0.0201
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0105	0.2253	0.4979
Trypanosoma brucei	glucose transporter, putative	0.0033	0.0606	0.8651
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Toxoplasma gondii	facilitative glucose transporter GT1	0.0105	0.2253	0.3408
Entamoeba histolytica	hypothetical protein	0.0023	0.0399	0.6679
Toxoplasma gondii	calcium-dependent protein kinase CDPK2B	0.0032	0.0597	0.0903
Mycobacterium tuberculosis	Probable conserved integral membrane transport protein	0.0015	0.0201	0.6328
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Mycobacterium ulcerans	sugar-transport integral membrane protein SugI	0.0015	0.0201	0.5052
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Echinococcus granulosus	Sugar transporter ERD6 protein	0.0015	0.0201	0.0445
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0021	0.0333	0.1477
Schistosoma mansoni	hypothetical protein	0.0205	0.4526	1
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0033	0.0606	0.8651
Brugia malayi	Cam kinase protein 1	0.0032	0.0597	0.2648
Mycobacterium ulcerans	prolyl-tRNA synthetase	0.0011	0.0119	0.2978
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0032	0.0597	0.1319
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0032	0.0597	0.1319
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Schistosoma mansoni	glucose transporter	0.0015	0.0201	0.0445
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0105	0.2253	0.4979
Onchocerca volvulus		0.0015	0.0201	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.0651 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)	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)	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)	= 112.2018 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	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: CHEMBL1474965

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1357072