TDR Targets

Basic information

Technical information

TDR Targets ID: 1457012
Name: N-[3-[(3-methoxybenzoyl)amino]propyl]pyridine -3-carboxamide
MW: 313.351 | Formula: C17H19N3O3
H donors: 2 H acceptors: 3 LogP: 1.43 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: COc1cccc(c1)C(=O)NCCCNC(=O)c1cccnc1
InChi: 1S/C17H19N3O3/c1-23-15-7-2-5-13(11-15)16(21)19-9-4-10-20-17(22)14-6-3-8-18-12-14/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,19,21)(H,20,22)
InChiKey: JSIKTENGFBRWEA-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

N-[3-[[(3-methoxyphenyl)-oxomethyl]amino]propyl]-3-pyridinecarboxamide
N-[3-[(3-methoxybenzoyl)amino]propyl]nicotinamide
N-[3-[(3-methoxyphenyl)carbonylamino]propyl]pyridine-3-carboxamide
BAS 11412509
N-[3-(3-Methoxy-benzoylamino)-propyl]-nicotinamide
ZINC04487378

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	lysine (K)-specific methyltransferase 2A	Starlite/ChEMBL	No references
Homo sapiens	multiple endocrine neoplasia I		No references
Influenza A virus	Nonstructural protein 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	mixed-lineage leukemia protein mll	Get druggable targets OG5_130642	All targets in OG5_130642
Echinococcus granulosus	dnaJ subfamily B	Get druggable targets OG5_133913	All targets in OG5_133913
Toxoplasma gondii	histone lysine methyltransferase SET1	Get druggable targets OG5_130642	All targets in OG5_130642
Neospora caninum	Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a	Get druggable targets OG5_130642	All targets in OG5_130642
Schistosoma japonicum	ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative	Get druggable targets OG5_130642	All targets in OG5_130642
Schistosoma japonicum	Menin, putative	Get druggable targets OG5_133913	All targets in OG5_133913
Echinococcus multilocularis	dnaJ subfamily B	Get druggable targets OG5_133913	All targets in OG5_133913
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_133913	All targets in OG5_133913

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium tuberculosis	Hypothetical protein	Nonstructural protein 1	230 aa	202 aa	23.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Onchocerca volvulus		0.0044	0.0644	1
Trichomonas vaginalis	conserved hypothetical protein	0.0044	0.0644	0.0819
Onchocerca volvulus		0.0044	0.0644	1
Trichomonas vaginalis	sugar transporter, putative	0.0044	0.0644	0.0819
Trypanosoma brucei	glucose transporter 1E	0.0096	0.1738	0.3508
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0644	0.0535
Schistosoma mansoni	glucose transporter	0.0044	0.0644	0.0644
Schistosoma mansoni	hypothetical protein	0.0494	1	1
Trypanosoma brucei	RNA helicase, putative	0.0238	0.4678	1
Brugia malayi	Major Facilitator Superfamily protein	0.0044	0.0644	0.057
Echinococcus multilocularis	General substrate transporter	0.0267	0.5282	0.5282
Brugia malayi	Hypothetical subtilase-type proteinase F21H12.6 in chromosome II	0.002	0.015	0.0037
Trichomonas vaginalis	sugar transporter, putative	0.0044	0.0644	0.0819
Plasmodium vivax	hexose transporter	0.0311	0.6189	1
Echinococcus granulosus	cpg binding protein	0.0037	0.0499	0.0499
Trichomonas vaginalis	conserved hypothetical protein	0.009	0.1605	0.2409
Schistosoma mansoni	thyroid hormone receptor	0.0021	0.0181	0.0181
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0074	0.1266	0.1266
Brugia malayi	Sodium:solute symporter family protein	0.0038	0.0532	0.0449
Brugia malayi	major facilitator superfamily protein	0.0044	0.0644	0.057
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0021	0.0181	0.0181
Onchocerca volvulus		0.0044	0.0644	1
Echinococcus granulosus	solute carrier family 5	0.0038	0.0532	0.0532
Echinococcus granulosus	solute carrier family 22	0.0044	0.0644	0.0644
Trichomonas vaginalis	sugar transporter, putative	0.0044	0.0644	0.0819
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0644	0.0535
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0181	0.0034
Schistosoma mansoni	nuclear transcription factor X-box binding 1 (nfx1)	0.0044	0.0644	0.0644
Onchocerca volvulus		0.0044	0.0644	1
Trichomonas vaginalis	sugar transporter, putative	0.0044	0.0644	0.0819
Echinococcus multilocularis	ecdysone induced protein 78C	0.0021	0.0181	0.0181
Trichomonas vaginalis	conserved hypothetical protein	0.009	0.1605	0.2409
Trichomonas vaginalis	conserved hypothetical protein	0.0044	0.0644	0.0819
Toxoplasma gondii	sugar transporter ST1	0.0044	0.0644	0.0819
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0021	0.0181	0.0034
Trypanosoma brucei	PAB1-binding protein , putative	0.0028	0.0323	0.0383
Trypanosoma cruzi	PAB1-binding protein , putative	0.0028	0.0323	0.1092
Onchocerca volvulus		0.0035	0.0458	0.6225
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0021	0.0181	0.0071
Echinococcus granulosus	synaptic vesicle 2 protein	0.0044	0.0644	0.0644
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0096	0.1738	0.3508
Echinococcus multilocularis		0.0375	0.7526	0.7526
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0282	0.5606	0.9034
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0181	0.0034
Onchocerca volvulus		0.0021	0.0181	0.0634
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0311	0.6189	0.6189
Trichomonas vaginalis	sugar transporter, putative	0.0044	0.0644	0.0819
Onchocerca volvulus		0.0044	0.0644	1
Mycobacterium leprae	PROBABLE PROLINE RICH MEMBRANE-ANCHORED MYCOSIN MYCP5 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-5)	0.002	0.015	0.5
Trypanosoma brucei	myo-inositol/proton symporter (MIT)	0.0044	0.0644	0.1092
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0644	0.0535
Leishmania major	myo-inositol/proton symporter (MIT)	0.0044	0.0644	0.3113
Trichomonas vaginalis	sugar transporter, putative	0.0044	0.0644	0.0819
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0066	0.1102	0.1577
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0532	0.0413
Trichomonas vaginalis	sugar transporter, putative	0.0096	0.1738	0.263
Trypanosoma brucei	glucose transporter, putative	0.0096	0.1738	0.3508
Trichomonas vaginalis	sugar transporter, putative	0.0044	0.0644	0.0819
Loa Loa (eye worm)	hypothetical protein	0.0284	0.5637	0.5936
Echinococcus granulosus	sodium:glucose cotransporter 2	0.0038	0.0532	0.0532
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0644	0.0535
Schistosoma mansoni	sugar transporter	0.0044	0.0644	0.0644
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.011	0.2018	0.3093
Schistosoma mansoni	glucose transport protein	0.0311	0.6189	0.6189
Echinococcus multilocularis	solute carrier family 22	0.0044	0.0644	0.0644
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0021	0.0181	0.0181
Leishmania major	glucose transporter, lmgt2	0.0096	0.1738	1
Mycobacterium ulcerans	integral membrane transport protein	0.0044	0.0644	1
Toxoplasma gondii	sugar transporter ST3	0.0044	0.0644	0.0819
Trichomonas vaginalis	sugar transporter, putative	0.0044	0.0644	0.0819
Echinococcus multilocularis	sodium:glucose cotransporter 2	0.0038	0.0532	0.0532
Schistosoma mansoni	RAR-like nuclear receptor	0.0021	0.0181	0.0181
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0311	0.6189	0.6189
Brugia malayi	celfurPC protein	0.0375	0.7526	0.7987
Trypanosoma brucei	glucose transporter, putative	0.0096	0.1738	0.3508
Leishmania major	glucose transporter, lmgt3	0.0096	0.1738	1
Brugia malayi	hypothetical protein	0.0044	0.0644	0.057
Trichomonas vaginalis	conserved hypothetical protein	0.009	0.1605	0.2409
Trichomonas vaginalis	sugar transport protein, putative	0.0044	0.0644	0.0819
Trichomonas vaginalis	sugar transporter, putative	0.0044	0.0644	0.0819
Trichomonas vaginalis	sugar transporter, putative	0.0096	0.1738	0.263
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0021	0.0181	0.0181
Echinococcus multilocularis	Sugar transporter ERD6 protein	0.0044	0.0644	0.0644
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0021	0.0181	0.0034
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0021	0.0181	0.0634
Brugia malayi	Major Facilitator Superfamily protein	0.0044	0.0644	0.057
Wolbachia endosymbiont of Brugia malayi	major facilitator superfamily permease	0.0044	0.0644	0.5
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0285	0.5663	0.5963
Trichomonas vaginalis	sugar transporter, putative	0.0044	0.0644	0.0819
Echinococcus multilocularis	solute carrier family 22	0.0044	0.0644	0.0644
Trichomonas vaginalis	sugar transporter, putative	0.0044	0.0644	0.0819
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0021	0.0181	0.0034
Onchocerca volvulus		0.0044	0.0644	1
Trichomonas vaginalis	conserved hypothetical protein	0.009	0.1605	0.2409
Brugia malayi	Sugar transporter family protein	0.0311	0.6189	0.6546
Brugia malayi	Nuclear hormone receptor-like 1	0.0285	0.5663	0.5978
Schistosoma mansoni	inositol transporter	0.0038	0.0532	0.0532
Schistosoma mansoni	retinoic acid receptor RXR	0.0021	0.0181	0.0181
Trypanosoma brucei	glucose transporter, putative	0.0096	0.1738	0.3508
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0323	0.0188
Brugia malayi	Sugar transporter family protein	0.0044	0.0644	0.057
Trichomonas vaginalis	sugar transporter, putative	0.0044	0.0644	0.0819
Trypanosoma brucei	glucose transporter, putative	0.0096	0.1738	0.3508
Echinococcus multilocularis	dnaJ subfamily B	0.0494	1	1
Schistosoma mansoni	furin-1 (S08 family)	0.0202	0.3938	0.3938
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0181	0.0034
Brugia malayi	Membrane-bound transcription factor site-1 protease precursor	0.002	0.015	0.0037
Schistosoma mansoni	subfamily S8B unassigned peptidase (S08 family)	0.0465	0.9394	0.9394
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0096	0.1738	1
Mycobacterium tuberculosis	Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter)	0.0044	0.0644	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0021	0.0181	0.0181
Echinococcus granulosus	high affinity choline transporter 1	0.0347	0.6942	0.6942
Plasmodium falciparum	major facilitator superfamily domain-containing protein, putative	0.0044	0.0644	0.0819
Echinococcus multilocularis	solute carrier family 22	0.0044	0.0644	0.0644
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0021	0.0181	0.0181
Echinococcus granulosus	Sugar transporter ERD6 protein	0.0044	0.0644	0.0644
Onchocerca volvulus		0.0044	0.0644	1
Echinococcus granulosus	membrane bound transcription factor site 1	0.002	0.015	0.015
Trichomonas vaginalis	conserved hypothetical protein	0.009	0.1605	0.2409
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0311	0.6189	0.6189
Onchocerca volvulus		0.0044	0.0644	1
Trichomonas vaginalis	sugar transporter, putative	0.0044	0.0644	0.0819
Schistosoma mansoni	hypothetical protein	0.0169	0.3249	0.3249
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.011	0.2018	0.3093
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0035	0.0458	0.0333
Trichomonas vaginalis	sugar transporter, putative	0.0044	0.0644	0.0819
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0311	0.6189	0.6189
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0021	0.0181	0.0181
Schistosoma mansoni	hypothetical protein	0.009	0.1605	0.1605
Schistosoma mansoni	sodium/solute symporter	0.0038	0.0532	0.0532
Echinococcus granulosus	General substrate transporter	0.0267	0.5282	0.5282
Trichomonas vaginalis	conserved hypothetical protein	0.0044	0.0644	0.0819
Trichomonas vaginalis	sugar transporter, putative	0.0044	0.0644	0.0819
Trichomonas vaginalis	conserved hypothetical protein	0.009	0.1605	0.2409
Echinococcus multilocularis	Furin 1	0.011	0.2018	0.2018
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0044	0.0644	0.0535
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0181	0.0034
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0021	0.0181	0.0181
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0021	0.0181	0.0181
Trichomonas vaginalis	conserved hypothetical protein	0.009	0.1605	0.2409
Trypanosoma cruzi	glucose transporter, putative	0.0044	0.0644	0.3113
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0181	0.0034
Schistosoma mansoni	site-1 peptidase (S08 family)	0.002	0.015	0.015
Echinococcus granulosus	solute carrier family 22	0.0044	0.0644	0.0644
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0021	0.0181	0.0181
Leishmania major	glucose transporter, lmgt1	0.0096	0.1738	1
Trichomonas vaginalis	sugar transporter, putative	0.0044	0.0644	0.0819
Schistosoma mansoni	hypothetical protein	0.0238	0.4678	0.4678
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0021	0.0181	0.0181
Brugia malayi	neuroendocrine convertase 1 precursor	0.0292	0.5806	0.6133
Brugia malayi	hypothetical protein	0.0028	0.0323	0.0224
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0021	0.0181	0.0181
Trichomonas vaginalis	sugar transporter, putative	0.0044	0.0644	0.0819
Brugia malayi	Nuclear hormone receptor-like 1	0.0295	0.5872	0.6204
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0021	0.0181	0.0071
Loa Loa (eye worm)	hypothetical protein	0.0465	0.9394	1
Trypanosoma cruzi	sugar transporter, putative	0.0044	0.0644	0.3113
Schistosoma mansoni	subfamily S8B unassigned peptidase (S08 family)	0.002	0.015	0.015
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0021	0.0181	0.0071
Plasmodium falciparum	ataxin-2 like protein, putative	0.0028	0.0323	0.0287
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0021	0.0181	0.0181
Schistosoma mansoni	subfamily S8B non-peptidase homologue (S08 family)	0.011	0.2018	0.2018
Trichomonas vaginalis	conserved hypothetical protein	0.009	0.1605	0.2409
Trypanosoma cruzi	hexose transporter, putative	0.0096	0.1738	1
Trichomonas vaginalis	sugar transporter, putative	0.0044	0.0644	0.0819
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0096	0.1738	0.3508
Onchocerca volvulus		0.0044	0.0644	1
Brugia malayi	Sugar transporter family protein	0.0044	0.0644	0.057
Echinococcus granulosus	Furin 1	0.011	0.2018	0.2018
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0181	0.0034
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0021	0.0181	0.0034
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0282	0.5606	0.9034
Plasmodium falciparum	hexose transporter	0.0311	0.6189	1
Brugia malayi	GH02984p	0.0347	0.6942	0.7357
Echinococcus granulosus	solute carrier family 22	0.0044	0.0644	0.0644
Trichomonas vaginalis	neuroendocrine convertase 2 precursor, putative	0.009	0.1605	0.2409
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0021	0.0181	0.0181
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.011	0.2018	0.3093
Echinococcus multilocularis	high affinity choline transporter 1	0.0347	0.6942	0.6942
Trichomonas vaginalis	sugar transporter, putative	0.0044	0.0644	0.0819
Echinococcus multilocularis	Peptidase S8 S53, subtilisin kexin sedolisin	0.002	0.015	0.015
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0021	0.0181	0.0181
Onchocerca volvulus		0.0044	0.0644	1
Loa Loa (eye worm)	endoprotease bli-4	0.0465	0.9394	1
Trichomonas vaginalis	sugar transporter, putative	0.0044	0.0644	0.0819
Echinococcus granulosus	solute carrier family 22	0.0044	0.0644	0.0644
Brugia malayi	endoprotease bli-4 precursor	0.0465	0.9394	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0021	0.0181	0.0181
Echinococcus granulosus	peptidase s8 s53 subtilisin kexin sedolisin	0.002	0.015	0.015
Echinococcus granulosus	neuroendocrine convertase 2	0.0292	0.5806	0.5806
Mycobacterium ulcerans	fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT	0.0044	0.0644	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.0021	0.0181	0.0634
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0021	0.0181	0.0034
Onchocerca volvulus		0.0044	0.0644	1
Schistosoma mansoni	site-1 peptidase (S08 family)	0.002	0.015	0.015
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.011	0.2018	0.3093
Echinococcus granulosus	ecdysone induced protein 78C	0.0021	0.0181	0.0181
Trichomonas vaginalis	proprotein convertase subtilisin/kexin type, putative	0.009	0.1605	0.2409
Loa Loa (eye worm)	sugar transporter	0.0311	0.6189	0.6533
Echinococcus multilocularis	membrane bound transcription factor site 1	0.002	0.015	0.015
Loa Loa (eye worm)	proprotein convertase 2	0.011	0.2018	0.2021
Echinococcus granulosus	sodium:glucose cotransporter	0.0038	0.0532	0.0532
Trichomonas vaginalis	glucose transporter, putative	0.0044	0.0644	0.0819
Onchocerca volvulus		0.0044	0.0644	1
Schistosoma mansoni	hypothetical protein	0.0311	0.6189	0.6189
Brugia malayi	Major Facilitator Superfamily protein	0.0044	0.0644	0.057
Toxoplasma gondii	facilitative glucose transporter GT1	0.0311	0.6189	1
Trichomonas vaginalis	conserved hypothetical protein	0.009	0.1605	0.2409
Trichomonas vaginalis	conserved hypothetical protein	0.009	0.1605	0.2409
Brugia malayi	nuclear hormone receptor	0.0021	0.0181	0.0071
Brugia malayi	hypothetical protein	0.0044	0.0644	0.057
Trichomonas vaginalis	glucose transporter, putative	0.0096	0.1738	0.263
Brugia malayi	steroid hormone receptor	0.0021	0.0181	0.0071
Brugia malayi	nuclear receptor NHR-88	0.0021	0.0181	0.0071
Mycobacterium leprae	Possible secreted protease	0.002	0.015	0.5
Echinococcus granulosus	sodium:myo inositol cotransporter	0.0038	0.0532	0.0532
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0021	0.0181	0.0181
Loa Loa (eye worm)	sugar transporter	0.0044	0.0644	0.0535
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0044	0.0644	0.0535
Schistosoma mansoni	coup transcription factor	0.0021	0.0181	0.0181
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0021	0.0181	0.0071
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0021	0.0181	0.0071
Brugia malayi	Nuclear hormone receptor-like 1	0.0285	0.5663	0.5978
Trichomonas vaginalis	conserved hypothetical protein	0.0096	0.1738	0.263
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0311	0.6189	0.6189
Trichomonas vaginalis	sugar transporter, putative	0.0044	0.0644	0.0819
Toxoplasma gondii	sugar transporter ST2	0.0044	0.0644	0.0819
Echinococcus multilocularis	sodium:myo inositol cotransporter	0.0038	0.0532	0.0532
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0021	0.0181	0.0071
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0311	0.6189	0.6189
Brugia malayi	photoreceptor-specific nuclear receptor	0.0021	0.0181	0.0071
Toxoplasma gondii	transporter, solute:sodium symporter (SSS) family protein	0.0038	0.0532	0.0632
Plasmodium falciparum	ataxin-2 like protein, putative	0.0028	0.0323	0.0287
Schistosoma mansoni	glucose transport protein	0.0311	0.6189	0.6189
Trypanosoma brucei	glucose transporter 2A	0.0096	0.1738	0.3508
Trichomonas vaginalis	sugar transporter, putative	0.0044	0.0644	0.0819
Trypanosoma brucei	sugar transporter, putative	0.0044	0.0644	0.1092
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.011	0.2018	0.3093
Echinococcus granulosus	geminin	0.0169	0.3249	0.3249
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0644	0.0535
Trypanosoma cruzi	PAB1-binding protein , putative	0.0028	0.0323	0.1092
Loa Loa (eye worm)	hypothetical protein	0.0182	0.3525	0.3651
Trichomonas vaginalis	sugar transporter, putative	0.0044	0.0644	0.0819
Trichomonas vaginalis	conserved hypothetical protein	0.0311	0.6189	1
Echinococcus multilocularis	proprotein convertase subtilisin:kexin type 5	0.0282	0.5606	0.5606
Echinococcus multilocularis	cpg binding protein	0.0037	0.0499	0.0499
Brugia malayi	Steroid receptor seven-up type 2	0.0021	0.0181	0.0071
Schistosoma mansoni	cpg binding protein	0.0037	0.0499	0.0499
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0644	0.0535
Trichomonas vaginalis	sugar transporter, putative	0.0044	0.0644	0.0819
Leishmania major	hypothetical protein, conserved	0.0028	0.0323	0.1092
Schistosoma mansoni	sugar transporter	0.0044	0.0644	0.0644
Brugia malayi	hypothetical protein	0.0044	0.0644	0.057
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0021	0.0181	0.0071
Brugia malayi	Subtilase family protein	0.002	0.015	0.0037
Trypanosoma brucei	glucose transporter, putative	0.0096	0.1738	0.3508
Toxoplasma gondii	transporter, major facilitator family protein	0.0044	0.0644	0.0819
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0644	0.0535
Trypanosoma brucei	glucose transporter, putative	0.0096	0.1738	0.3508
Trichomonas vaginalis	sugar transporter, putative	0.0044	0.0644	0.0819
Echinococcus multilocularis	neuroendocrine convertase 2	0.0292	0.5806	0.5806
Echinococcus multilocularis	geminin	0.0169	0.3249	0.3249
Schistosoma mansoni	thyroid hormone receptor	0.0021	0.0181	0.0181
Loa Loa (eye worm)	hypothetical protein	0.0347	0.6942	0.7347
Trichomonas vaginalis	sugar transporter, putative	0.0044	0.0644	0.0819
Toxoplasma gondii	LsmAD domain-containing protein	0.0028	0.0323	0.0287
Plasmodium vivax	ataxin-2 like protein, putative	0.0028	0.0323	0.0287
Trypanosoma brucei	glucose transporter, putative	0.0096	0.1738	0.3508
Schistosoma mansoni	tripeptidyl-peptidase II (S08 family)	0.002	0.015	0.015
Trypanosoma brucei	glucose transporter, putative	0.0096	0.1738	0.3508
Brugia malayi	ecdysteroid receptor	0.0021	0.0181	0.0071
Trichomonas vaginalis	myo-inositol transporter, putative	0.0044	0.0644	0.0819
Trichomonas vaginalis	conserved hypothetical protein	0.0044	0.0644	0.0819
Brugia malayi	proprotein convertase 2	0.0292	0.5806	0.6133
Trichomonas vaginalis	sugar transporter, putative	0.0096	0.1738	0.263
Trichomonas vaginalis	leucine-rich repeat protein, BspA family	0.009	0.1605	0.2409
Trypanosoma cruzi	hexose transporter	0.0096	0.1738	1
Schistosoma mansoni	glucose transport protein	0.0311	0.6189	0.6189
Trichomonas vaginalis	sugar transporter, putative	0.0044	0.0644	0.0819
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0021	0.0181	0.0181
Trichomonas vaginalis	conserved hypothetical protein	0.0044	0.0644	0.0819
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0021	0.0181	0.0181
Trypanosoma cruzi	hexose transporter, putative	0.0096	0.1738	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0021	0.0181	0.0181
Echinococcus granulosus	proprotein convertase subtilisin:kexin type 5	0.0282	0.5606	0.5606
Trichomonas vaginalis	glucose transporter, putative	0.0096	0.1738	0.263
Schistosoma mansoni	sugar transporter	0.0044	0.0644	0.0644
Schistosoma mansoni	nuclear hormone receptor	0.0021	0.0181	0.0181
Onchocerca volvulus		0.0044	0.0644	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0021	0.0181	0.0181
Giardia lamblia	High cysteine membrane protein Group 2	0.0173	0.3326	1
Onchocerca volvulus		0.0044	0.0644	1
Echinococcus multilocularis	sodium coupled monocarboxylate transporter 1	0.0038	0.0532	0.0532
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0021	0.0181	0.0034
Onchocerca volvulus		0.0044	0.0644	1
Onchocerca volvulus		0.0038	0.0532	0.7723
Trichomonas vaginalis	sugar transporter, putative	0.0044	0.0644	0.0819
Trypanosoma cruzi	hexose transporter, putative	0.0096	0.1738	1
Onchocerca volvulus	Bile acid receptor homolog	0.0021	0.0181	0.0634
Trichomonas vaginalis	sugar transporter, putative	0.0044	0.0644	0.0819
Trichomonas vaginalis	sugar transporter, putative	0.0044	0.0644	0.0819
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0644	0.0535
Echinococcus granulosus	FTZ F1 alpha	0.0021	0.0181	0.0181
Leishmania major	hypothetical protein, conserved	0.0044	0.0644	0.3113
Mycobacterium tuberculosis	Probable conserved integral membrane transport protein	0.0044	0.0644	1
Trichomonas vaginalis	sugar transporter, putative	0.0044	0.0644	0.0819
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0181	0.0034
Schistosoma mansoni	cpg binding protein	0.0037	0.0499	0.0499
Trypanosoma cruzi	hexose transporter, putative	0.0053	0.0831	0.4288
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0021	0.0181	0.0071
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0181	0.0034
Echinococcus granulosus	sodium coupled monocarboxylate transporter 1	0.0038	0.0532	0.0532
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0096	0.1738	0.3508
Echinococcus multilocularis	synaptic vesicle 2 protein	0.0044	0.0644	0.0644
Echinococcus multilocularis	solute carrier family 22	0.0044	0.0644	0.0644
Trichomonas vaginalis	conserved hypothetical protein	0.009	0.1605	0.2409
Schistosoma mansoni	cpg binding protein	0.0035	0.0458	0.0458
Loa Loa (eye worm)	steroid hormone receptor	0.0021	0.0181	0.0034
Echinococcus multilocularis	solute carrier family 5	0.0038	0.0532	0.0532
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0644	0.0535
Brugia malayi	major facilitator superfamily protein	0.0044	0.0644	0.057
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0644	0.0535
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0644	0.0535
Trichomonas vaginalis	sugar transporter, putative	0.0044	0.0644	0.0819
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0311	0.6189	0.6189
Schistosoma mansoni	inositol transporter	0.0038	0.0532	0.0532
Trichomonas vaginalis	sugar transporter, putative	0.0044	0.0644	0.0819
Brugia malayi	CXXC zinc finger family protein	0.0035	0.0458	0.0369
Onchocerca volvulus	Putative transporter	0.0044	0.0644	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0021	0.0181	0.0071
Trichomonas vaginalis	conserved hypothetical protein	0.0096	0.1738	0.263
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0021	0.0181	0.0071
Echinococcus granulosus	furin	0.0465	0.9394	0.9394
Trichomonas vaginalis	sugar transporter, putative	0.0044	0.0644	0.0819
Trypanosoma cruzi	hexose transporter, putative	0.0044	0.0644	0.3113
Plasmodium vivax	sugar transporter, putative	0.0044	0.0644	0.0819
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0021	0.0181	0.0034
Echinococcus multilocularis	FTZ F1 alpha	0.0021	0.0181	0.0181
Schistosoma mansoni	high-affinity choline transporter	0.0347	0.6942	0.6942
Trichomonas vaginalis	sugar transporter, putative	0.0044	0.0644	0.0819
Mycobacterium leprae	PROBABLE MEMBRANE-ANCHORED MYCOSIN MYCP3 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-3)	0.002	0.015	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0021	0.0181	0.0071
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0644	0.0535
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.011	0.2018	0.3093
Giardia lamblia	Furin precursor putative serine protease	0.009	0.1605	0.3583
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0644	0.0535
Schistosoma mansoni	hypothetical protein	0.0169	0.3249	0.3249
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0021	0.0181	0.0071
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0644	0.0535
Onchocerca volvulus		0.0044	0.0644	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0021	0.0181	0.0181
Schistosoma mansoni	sugar transporter	0.0044	0.0644	0.0644
Trichomonas vaginalis	hypothetical protein	0.009	0.1605	0.2409
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0311	0.6189	0.6189
Mycobacterium ulcerans	sugar-transport integral membrane protein SugI	0.0044	0.0644	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0021	0.0181	0.0071
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0644	0.0535
Mycobacterium ulcerans	sugar transporter	0.0044	0.0644	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.631 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 4.4668 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	58.4789 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of mutant isocitrate dehydrogenase 1 (IDH1): qHTS. (Class of assay: confirmatory)	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: CHEMBL1459482

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1457012