TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 835.856 | Formula: C41H60Cl2N6O8
H donors: 5 H acceptors: 5 LogP: 7.03 Rotable bonds: 26
Rule of 5 violations (Lipinski): 2
SMILES: COc1cc(N)c(cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCCCCCCCCC(=O)NC1CCN(CC1)CCOC(=O)c1cc(Cl)c(cc1O)N)Cl
InChi: 1S/C41H60Cl2N6O8/c1-55-37-27-35(45)33(43)25-31(37)41(54)57-23-21-49-18-14-29(15-19-49)47-39(52)11-9-7-5-3-2-4-6-8-10-38(51)46-28-12-16-48(17-13-28)20-22-56-40(53)30-24-32(42)34(44)26-36(30)50/h24-29,50H,2-23,44-45H2,1H3,(H,46,51)(H,47,52)
InChiKey: TUIWJMABCCECJM-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	5-hydroxytryptamine (serotonin) receptor 4, G protein-coupled	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K04136 adrenergic receptor, alpha 1b, putative	Get druggable targets OG5_133042	All targets in OG5_133042

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	follicle stimulating hormone receptor	5-hydroxytryptamine (serotonin) receptor 4, G protein-coupled	388 aa	314 aa	23.9 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Plasmodium vivax	hexose transporter	0.0114	0.0374	1
Echinococcus granulosus	Niemann Pick C1 protein	0.0107	0.0348	0.1319
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0114	0.0374	0.1419
Onchocerca volvulus		0.0056	0.0146	0.0974
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0102	0.0328	0.0327
Entamoeba histolytica	protein kinase, putative	0.0039	0.0079	0.1412
Loa Loa (eye worm)	hypothetical protein	0.015	0.0518	0.2673
Echinococcus multilocularis	muscleblind protein 1	0.0158	0.0549	0.0548
Loa Loa (eye worm)	hypothetical protein	0.0198	0.0709	0.3662
Brugia malayi	hypothetical protein	0.0507	0.1934	1
Brugia malayi	CHE-14 protein	0.0046	0.0106	0.0542
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0114	0.0374	0.1419
Loa Loa (eye worm)	hypothetical protein	0.015	0.0518	0.2673
Trichomonas vaginalis	conserved hypothetical protein	0.0114	0.0374	1
Schistosoma mansoni	patched 1	0.0046	0.0106	0.0398
Entamoeba histolytica	protein kinase, putative	0.0039	0.0079	0.1412
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.002	0.0004	0.0013
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0114	0.0374	0.0373
Echinococcus granulosus	calcium:calmodulin dependent protein kinase I	0.0039	0.0079	0.0297
Loa Loa (eye worm)	hypothetical protein	0.0156	0.0541	0.2793
Mycobacterium tuberculosis	Probable zinc metalloprotease Zmp1	0.0198	0.0709	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0023	0.0577
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.003	0.0043	0.0215
Trypanosoma cruzi	DNA polymerase kappa, putative	0.002	0.0004	0.004
Brugia malayi	Inositol-1	0.0037	0.0069	0.035
Brugia malayi	Peptidase family M13 containing protein	0.0198	0.0709	0.3662
Schistosoma mansoni	microtubule-associated protein tau	0.0684	0.2633	1
Echinococcus multilocularis	sterol regulatory element binding protein	0.0046	0.0106	0.0105
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0023	0.0577
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0023	0.0203
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0027	0.0133
Echinococcus multilocularis	Niemann Pick C1 protein	0.0153	0.053	0.053
Brugia malayi	Niemann-Pick C1 protein precursor	0.0107	0.0348	0.1797
Loa Loa (eye worm)	zinc finger protein	0.0353	0.1323	0.6843
Schistosoma mansoni	hypothetical protein	0.0106	0.0345	0.1309
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0048	0.0115	0.0433
Entamoeba histolytica	hypothetical protein	0.0154	0.0533	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0154	0.0533	0.0533
Trypanosoma brucei	glucose transporter, putative	0.0035	0.0063	0.0534
Onchocerca volvulus		0.0098	0.0313	0.2096
Onchocerca volvulus	Huntingtin homolog	0.0395	0.1488	1
Echinococcus granulosus	Alpha N acetylgalactosaminidase	0.0108	0.0352	0.1335
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0156	0.0541	0.2793
Trichomonas vaginalis	sugar transporter, putative	0.0035	0.0063	0.1595
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0102	0.0328	0.1692
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.01	0.032	0.1211
Toxoplasma gondii	melibiase subfamily protein	0.0108	0.0352	0.4807
Loa Loa (eye worm)	hypothetical protein	0.015	0.0518	0.2673
Echinococcus multilocularis	lamin dm0	0.0056	0.0146	0.0145
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.002	0.0004	0.0013
Echinococcus multilocularis	dna polymerase kappa	0.002	0.0004	0.0003
Trichomonas vaginalis	conserved hypothetical protein	0.0035	0.0063	0.1595
Loa Loa (eye worm)	peptidase family M13 containing protein	0.0146	0.0504	0.2602
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0027	0.0133
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0046	0.0106	0.0542
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0049	0.0119	0.0118
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0142	0.0485	0.437
Echinococcus granulosus	microtubule associated protein 2	0.0684	0.2633	1
Brugia malayi	hypothetical protein	0.0154	0.0533	0.2755
Echinococcus granulosus	geminin	0.0515	0.1964	0.7457
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0037	0.0069	0.0912
Toxoplasma gondii	facilitative glucose transporter GT1	0.0114	0.0374	0.5127
Trypanosoma cruzi	DNA polymerase kappa, putative	0.002	0.0004	0.004
Loa Loa (eye worm)	hypothetical protein	0.0395	0.1488	0.7692
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0069	0.0581
Schistosoma mansoni	hypothetical protein	0.0052	0.0129	0.0484
Schistosoma mansoni	DNA polymerase eta	0.002	0.0004	0.0013
Schistosoma mansoni	hypothetical protein	0.0049	0.0119	0.0448
Schistosoma mansoni	serine/threonine protein kinase	0.0039	0.0079	0.0297
Brugia malayi	hypothetical protein	0.0395	0.1488	0.7692
Loa Loa (eye worm)	hypothetical protein	0.0507	0.1934	1
Plasmodium falciparum	hexose transporter	0.0114	0.0374	1
Schistosoma mansoni	glucose transport protein	0.0114	0.0374	0.1419
Echinococcus granulosus	sterol regulatory element binding protein	0.0046	0.0106	0.0398
Schistosoma mansoni	hypothetical protein	0.0049	0.0119	0.0448
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0114	0.0374	0.0373
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0052	0.0129	0.0484
Loa Loa (eye worm)	MH2 domain-containing protein	0.013	0.0439	0.2264
Schistosoma mansoni	hypothetical protein	0.0049	0.0119	0.0448
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.002	0.0004	0.0018
Echinococcus granulosus	dna polymerase eta	0.002	0.0004	0.0013
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0042	0.009	0.0814
Echinococcus multilocularis	muscleblind protein	0.0158	0.0549	0.0548
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0069	0.0618
Brugia malayi	Latrophilin receptor protein 2	0.0049	0.0119	0.061
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0119	0.061
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0102	0.0328	0.1242
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.01	0.032	0.1211
Brugia malayi	Zinc finger, C2H2 type family protein	0.0353	0.1323	0.6843
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0108	0.0352	0.1335
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0158	0.0548	0.772
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0051	0.0127	0.1143
Trypanosoma cruzi	hexose transporter, putative	0.0035	0.0063	0.0571
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0142	0.0728
Schistosoma mansoni	inositol monophosphatase	0.0037	0.0069	0.0257
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0049	0.0119	0.061
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0348	0.1797
Trypanosoma cruzi	hexose transporter, putative	0.0035	0.0063	0.0571
Loa Loa (eye worm)	hypothetical protein	0.0146	0.0504	0.2602
Loa Loa (eye worm)	hypothetical protein	0.0146	0.0504	0.2602
Schistosoma mansoni	lipoxygenase	0.0082	0.0247	0.0936
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0549	0.2836
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0035	0.0063	0.0534
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0049	0.0119	0.061
Schistosoma mansoni	hypothetical protein	0.0044	0.0099	0.0373
Schistosoma mansoni	hypothetical protein	0.0052	0.0129	0.0484
Echinococcus multilocularis	zinc finger transcription factor gli2	0.0353	0.1323	0.1323
Loa Loa (eye worm)	hypothetical protein	0.015	0.0518	0.2673
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0114	0.0374	0.1419
Onchocerca volvulus		0.0056	0.0146	0.0974
Loa Loa (eye worm)	inositol-1	0.0037	0.0069	0.035
Trypanosoma brucei	glucose transporter, putative	0.0035	0.0063	0.0534
Schistosoma mansoni	hypothetical protein	0.0044	0.0099	0.0373
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0042	0.009	0.0814
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0102	0.0328	0.1692
Schistosoma mansoni	endothelin-converting enzyme-related	0.0048	0.0115	0.0433
Echinococcus multilocularis	Glycoside hydrolase, family 27	0.0108	0.0352	0.0351
Brugia malayi	hypothetical protein	0.0025	0.0023	0.0112
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0069	0.0618
Loa Loa (eye worm)	zinc metallopeptidase 4	0.0048	0.0115	0.0589
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0031	0.0154
Trypanosoma brucei	glucose transporter, putative	0.0035	0.0063	0.0534
Trichomonas vaginalis	sugar transporter, putative	0.0035	0.0063	0.1595
Echinococcus granulosus	serine:threonine protein kinase Chk2	0.0039	0.0079	0.0297
Loa Loa (eye worm)	sugar transporter	0.0114	0.0374	0.1932
Echinococcus multilocularis	geminin	0.0515	0.1964	0.1963
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0549	0.2836
Toxoplasma gondii	peptidase family M13 protein	0.0198	0.0709	1
Schistosoma mansoni	family M13 non-peptidase homologue (M13 family)	0.01	0.032	0.1211
Trypanosoma cruzi	DNA polymerase eta, putative	0.002	0.0004	0.004
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0049	0.0119	0.0448
Schistosoma mansoni	polycystin 1-related	0.0102	0.0329	0.1246
Schistosoma mansoni	family M13 non-peptidase homologue (M13 family)	0.0048	0.0115	0.0433
Echinococcus multilocularis	expressed conserved protein	0.0101	0.0322	0.0322
Loa Loa (eye worm)	transcription factor SMAD2	0.013	0.0439	0.2264
Echinococcus multilocularis	serine:threonine protein kinase Chk2	0.0039	0.0079	0.0078
Schistosoma mansoni	lamin	0.0056	0.0146	0.055
Wolbachia endosymbiont of Brugia malayi	extracellular metallopeptidase	0.0942	0.3656	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0156	0.0541	0.2793
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0042	0.009	0.0814
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0156	0.0541	0.2793
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0035	0.0063	0.0534
Echinococcus granulosus	expressed conserved protein	0.0101	0.0322	0.1222
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0299	0.1109	1
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0108	0.0352	0.1335
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0107	0.0348	0.6499
Leishmania major	hypothetical protein, conserved	0.0025	0.0023	0.0164
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0035	0.0063	0.0534
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0106	0.0542
Schistosoma mansoni	neprilysin-2 (M13 family)	0.01	0.032	0.1211
Trichomonas vaginalis	sugar transporter, putative	0.0035	0.0063	0.1595
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0037	0.0069	0.1736
Echinococcus multilocularis	inositol monophosphatase 1	0.0037	0.0069	0.0068
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0072	0.021	0.0792
Echinococcus multilocularis	protein dispatched 1	0.0052	0.0132	0.0131
Loa Loa (eye worm)	hypothetical protein	0.015	0.0518	0.2673
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0114	0.0374	0.0373
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0154	0.0533	0.2023
Trichomonas vaginalis	alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative	0.0072	0.021	0.5546
Brugia malayi	intermediate filament protein	0.0056	0.0146	0.0749
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0102	0.0328	0.0327
Schistosoma mansoni	endothelin-converting enzyme-like 1 (damage-induced neuronal endopeptidase)	0.0048	0.0115	0.0433
Brugia malayi	Sugar transporter family protein	0.0114	0.0374	0.1932
Loa Loa (eye worm)	hypothetical protein	0.0198	0.0709	0.3662
Echinococcus multilocularis	dna polymerase eta	0.002	0.0004	0.0003
Loa Loa (eye worm)	intermediate filament protein	0.0056	0.0146	0.0749
Schistosoma mansoni	hypothetical protein	0.0052	0.0129	0.0484
Schistosoma mansoni	neprilysin	0.0052	0.0129	0.0484
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0056	0.0146	0.0749
Echinococcus granulosus	lamin dm0	0.0056	0.0146	0.055
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0069	0.0581
Echinococcus granulosus	endothelin converting enzyme 1	0.0198	0.0709	0.2689
Trypanosoma brucei	glucose transporter, putative	0.0035	0.0063	0.0534
Trichomonas vaginalis	glucose transporter, putative	0.0035	0.0063	0.1595
Schistosoma mansoni	hypothetical protein	0.0103	0.0334	0.1264
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0049	0.0119	0.0118
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0117	0.0387	0.1465
Schistosoma mansoni	hypothetical protein	0.0515	0.1964	0.7457
Toxoplasma gondii	hypothetical protein	0.0048	0.0115	0.1345
Leishmania major	glucose transporter, lmgt3	0.0035	0.0063	0.0534
Echinococcus multilocularis	protein patched	0.0046	0.0106	0.0105
Onchocerca volvulus	Huntingtin homolog	0.0395	0.1488	1
Echinococcus granulosus	General substrate transporter	0.0098	0.0311	0.1178
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.002	0.0004	0.0003
Schistosoma mansoni	hypothetical protein	0.0049	0.0119	0.0448
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0049	0.0119	0.0448
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0146	0.0749
Trypanosoma cruzi	DNA polymerase kappa, putative	0.002	0.0004	0.004
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0037	0.0069	0.1736
Trichomonas vaginalis	inositol monophosphatase, putative	0.0037	0.0069	0.1736
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0102	0.0328	0.1242
Loa Loa (eye worm)	hypothetical protein	0.0106	0.0345	0.1782
Trypanosoma brucei	glucose transporter 1E	0.0035	0.0063	0.0534
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0035	0.0063	0.0534
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0117	0.0387	0.0386
Schistosoma mansoni	hypothetical protein	0.0052	0.0129	0.0484
Echinococcus granulosus	GPCR family 2	0.0049	0.0119	0.0448
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0108	0.0352	0.1335
Trypanosoma cruzi	hexose transporter	0.0035	0.0063	0.0571
Trypanosoma brucei	glucose transporter, putative	0.0035	0.0063	0.0534
Echinococcus granulosus	intermediate filament protein	0.0056	0.0146	0.055
Brugia malayi	peptidase family M13 containing protein	0.0048	0.0115	0.0589
Echinococcus multilocularis	survival motor neuron protein 1	0.0507	0.1934	0.1933
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0198	0.0709	0.2689
Schistosoma mansoni	hypothetical protein	0.0154	0.0533	0.2023
Brugia malayi	cytoplasmic intermediate filament protein	0.003	0.0043	0.0215
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0102	0.0328	0.1242
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0027	0.0031	0.0113
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0142	0.0485	0.4347
Brugia malayi	MH2 domain containing protein	0.013	0.0439	0.2264
Loa Loa (eye worm)	hypothetical protein	0.002	0.0004	0.0018
Onchocerca volvulus		0.0103	0.0334	0.2237
Echinococcus granulosus	inositol monophosphatase 1	0.0037	0.0069	0.0257
Echinococcus multilocularis	endothelin converting enzyme 1	0.0198	0.0709	0.0708
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0142	0.0485	0.4347
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0108	0.0352	0.1335
Schistosoma mansoni	glucose transport protein	0.0114	0.0374	0.1419
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0102	0.0328	0.1242
Leishmania major	mitochondrial DNA polymerase beta	0.0299	0.1109	1
Schistosoma mansoni	inositol monophosphatase	0.0037	0.0069	0.0257
Echinococcus granulosus	dna polymerase kappa	0.002	0.0004	0.0013
Brugia malayi	ImpB/MucB/SamB family protein	0.002	0.0004	0.0018
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0114	0.0374	0.0373
Trypanosoma cruzi	DNA polymerase kappa, putative	0.002	0.0004	0.004
Schistosoma mansoni	glucose transport protein	0.0114	0.0374	0.1419
Echinococcus granulosus	muscleblind protein	0.0158	0.0549	0.2082
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0048	0.0115	0.0433
Schistosoma mansoni	survival motor neuron protein	0.0103	0.0334	0.1264
Brugia malayi	ImpB/MucB/SamB family protein	0.002	0.0004	0.0018
Schistosoma mansoni	transcription factor LCR-F1	0.0154	0.0533	0.2023
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0103	0.0334	0.1721
Trypanosoma brucei	glucose transporter 2A	0.0035	0.0063	0.0534
Schistosoma mansoni	hypothetical protein	0.0052	0.0129	0.0484
Trypanosoma brucei	glucose transporter, putative	0.0035	0.0063	0.0534
Schistosoma mansoni	hypothetical protein	0.0114	0.0374	0.1419
Echinococcus granulosus	lamin	0.0056	0.0146	0.055
Entamoeba histolytica	hypothetical protein	0.0154	0.0533	1
Echinococcus multilocularis	musashi	0.0056	0.0146	0.0145
Trypanosoma brucei	glucose transporter, putative	0.0035	0.0063	0.0534
Entamoeba histolytica	hypothetical protein	0.0154	0.0533	1
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0072	0.021	0.0792
Mycobacterium ulcerans	zinc metalloprotease	0.0198	0.0709	1
Trichomonas vaginalis	glucose transporter, putative	0.0035	0.0063	0.1595
Mycobacterium ulcerans	hypothetical protein	0.0158	0.0548	0.772
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0037	0.0069	0.1214
Trypanosoma brucei	glucose transporter, putative	0.0035	0.0063	0.0534
Brugia malayi	Melibiase family protein	0.0072	0.021	0.1079
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0033	0.0053	0.0696
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0048	0.0115	0.0433
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0042	0.009	0.0778
Loa Loa (eye worm)	hypothetical protein	0.0146	0.0504	0.2602
Schistosoma mansoni	hypothetical protein	0.0044	0.0099	0.0373
Brugia malayi	Intermediate filament tail domain containing protein	0.0056	0.0146	0.0749
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0114	0.0374	0.1419
Loa Loa (eye worm)	hypothetical protein	0.0072	0.021	0.1079
Schistosoma mansoni	lipoxygenase	0.0117	0.0387	0.1465
Schistosoma mansoni	intermediate filament proteins	0.0056	0.0146	0.055
Loa Loa (eye worm)	hypothetical protein	0.0395	0.1488	0.7692
Leishmania major	glucose transporter, lmgt1	0.0035	0.0063	0.0534
Schistosoma mansoni	hypothetical protein	0.0044	0.0099	0.0373
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0023	0.0577
Loa Loa (eye worm)	hypothetical protein	0.0198	0.0709	0.3662
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0023	0.0112
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0027	0.0031	0.003
Trypanosoma cruzi	hexose transporter, putative	0.0035	0.0063	0.0571
Mycobacterium leprae	probable zinc metalloprotease	0.0198	0.0709	1
Loa Loa (eye worm)	peptidase family M13 containing protein	0.0146	0.0504	0.2602
Echinococcus multilocularis	lamin	0.0056	0.0146	0.0145
Echinococcus multilocularis	General substrate transporter	0.0098	0.0311	0.031
Loa Loa (eye worm)	hypothetical protein	0.015	0.0518	0.2673
Echinococcus granulosus	zinc finger transcription factor gli2	0.0353	0.1323	0.5025
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0109	0.0355	0.1344
Schistosoma mansoni	terminal deoxycytidyl transferase	0.002	0.0004	0.0013
Echinococcus granulosus	Niemann Pick C1 protein	0.0153	0.053	0.2012
Leishmania major	glucose transporter, lmgt2	0.0035	0.0063	0.0534
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0313	0.1612
Schistosoma mansoni	hypothetical protein	0.0052	0.0129	0.0484
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0299	0.1109	1
Echinococcus granulosus	Protein patched homolog 1	0.0046	0.0106	0.0398
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0023	0.0203
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0299	0.1109	1
Echinococcus multilocularis	Niemann Pick C1 protein	0.0107	0.0348	0.0347
Echinococcus multilocularis	Alpha N acetylgalactosaminidase	0.0108	0.0352	0.0351
Trichomonas vaginalis	conserved hypothetical protein	0.0046	0.0106	0.2742
Loa Loa (eye worm)	hypothetical protein	0.0146	0.0504	0.2602
Trichomonas vaginalis	conserved hypothetical protein	0.0035	0.0063	0.1595
Schistosoma mansoni	lamin	0.0056	0.0146	0.055
Echinococcus multilocularis	GPCR, family 2	0.0049	0.0119	0.0118
Brugia malayi	Muscleblind-like protein	0.0158	0.0549	0.2836
Echinococcus granulosus	survival motor neuron protein 1	0.0507	0.1934	0.7343
Schistosoma mansoni	Nep2 peptidase (M13 family)	0.01	0.032	0.1211
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0102	0.0328	0.1242
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase I	0.0039	0.0079	0.0078
Echinococcus multilocularis	microtubule associated protein 2	0.0684	0.2633	0.2632
Giardia lamblia	DINP protein human, muc B family	0.002	0.0004	0.5
Schistosoma mansoni	hypothetical protein	0.0515	0.1964	0.7457
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0037	0.0069	0.0671
Brugia malayi	Hypothetical zinc metalloproteinase T16A9.4	0.0198	0.0709	0.3662
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0023	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0147	0.0755
Brugia malayi	latrophilin 2 splice variant baaae	0.0106	0.0345	0.1782
Entamoeba histolytica	hypothetical protein	0.0154	0.0533	1

Activities

Activity type	Activity value	Assay description	Source	Reference
cAMP (functional)	= 20 %	Percent cAMP production in C6 glial cells expressing human 5-hydroxytryptamine 4 receptor	ChEMBL.	16190749
cAMP (functional)	= 20 %	Percent cAMP production in C6 glial cells expressing human 5-hydroxytryptamine 4 receptor	ChEMBL.	16190749
Ki (binding)	= 16 nM	Binding affinity for 5-HT4 receptor using [3H]-GR-113,808	ChEMBL.	16190749
Ki (binding)	= 16 nM	Binding affinity for 5-HT4 receptor using [3H]-GR-113,808	ChEMBL.	16190749

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: CHEMBL199150

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 344458