TDR Targets

Basic information

Technical information

TDR Targets ID: 1310513
Name: SMR000113031
MW: 568.706 | Formula: C34H40N4O4
H donors: 0 H acceptors: 4 LogP: 3.6 Rotable bonds: 4
Rule of 5 violations (Lipinski): 2
SMILES: C[C@H]1CC[C@@H]2N([C@@H]1c1cccc(c1)N1CCCC1=O)C(=O)[C@H]1N(C2=O)[C@@H]([C@H](CC1)C)c1cccc(c1)N1CCCC1=O
InChi: 1S/C34H40N4O4/c1-21-13-15-27-34(42)38-28(16-14-22(2)32(38)24-8-4-10-26(20-24)36-18-6-12-30(36)40)33(41)37(27)31(21)23-7-3-9-25(19-23)35-17-5-11-29(35)39/h3-4,7-10,19-22,27-28,31-32H,5-6,11-18H2,1-2H3/t21-,22-,27-,28-,31-,32-/m0/s1
InChiKey: QQVRXVGZCWKAIS-DOWNUALMSA-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

MLS000439025
CMLDBU00002325

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0288	0.0275
Echinococcus granulosus	acetylcholinesterase	0.2579	1	1
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0288	0.0275
Onchocerca volvulus		0.0436	0.1626	1
Onchocerca volvulus		0.0182	0.0634	0.3678
Plasmodium vivax	tryptophan-rich antigen (Pv-fam-a)	0.0537	0.2022	1
Brugia malayi	Carboxylesterase family protein	0.2579	1	1
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0269	0.0256
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0045	0.0031
Plasmodium falciparum	calcium-dependent protein kinase 2	0.0032	0.0047	0.0207
Schistosoma mansoni	cathepsin D (A01 family)	0.0034	0.0057	0.0043
Brugia malayi	hypothetical protein	0.0034	0.0057	0.0043
Echinococcus granulosus	BC026374 protein S09 family	0.0436	0.1626	0.1614
Loa Loa (eye worm)	hypothetical protein	0.0182	0.0634	0.0621
Onchocerca volvulus		0.0182	0.0634	0.3678
Onchocerca volvulus		0.0436	0.1626	1
Loa Loa (eye worm)	aspartyl protease 6	0.0034	0.0057	0.0043
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0104	0.0329	0.0316
Loa Loa (eye worm)	hypothetical protein	0.0666	0.2525	0.2515
Plasmodium vivax	plasmepsin IV, putative	0.0034	0.0057	0.0216
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0436	0.1626	0.1614
Plasmodium vivax	calcium-dependent protein kinase, putative	0.0032	0.0047	0.0168
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0182	0.0634	0.0621
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0182	0.0634	0.0621
Brugia malayi	Neuronal acetylcholine receptor protein, alpha-2 chain precursor	0.0089	0.0269	0.0256
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0034	0.0057	0.0336
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0182	0.0634	0.0621
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0436	0.1626	0.1614
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0288	0.0275
Entamoeba histolytica	protein kinase, putative	0.0032	0.0047	0.1227
Leishmania major	protein kinase, putative	0.0032	0.0047	0.6561
Schistosoma mansoni	nAChR subunit	0.0182	0.0634	0.0621
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0089	0.0269	0.0256
Schistosoma mansoni	cathepsin D (A01 family)	0.0034	0.0057	0.0043
Trichomonas vaginalis	CAMK family protein kinase	0.0032	0.0047	0.0276
Loa Loa (eye worm)	hypothetical protein	0.0182	0.0634	0.0621
Loa Loa (eye worm)	hypothetical protein	0.0436	0.1626	0.1614
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0089	0.0269	0.0256
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0182	0.0634	0.0621
Trichomonas vaginalis	glucose transporter, putative	0.0032	0.0049	0.0286
Brugia malayi	hypothetical protein	0.0089	0.0269	0.0256
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0036	0.0065	1
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0049	0.6871
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0057	0.0043
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0034	0.0057	0.0043
Plasmodium vivax	hexose transporter	0.0104	0.0329	0.1569
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0288	0.0275
Schistosoma mansoni	nicotinic acetylcholine receptor alpha	0.0093	0.0288	0.0275
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0049	0.6871
Mycobacterium ulcerans	carboxylesterase, LipT	0.0436	0.1626	1
Echinococcus granulosus	para nitrobenzyl esterase	0.0436	0.1626	0.1614
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0104	0.0329	0.0316
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0182	0.0634	0.0621
Trypanosoma brucei	calcium/calmodulin-dependent protein kinase, putative	0.0032	0.0047	0.6561
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit type	0.0089	0.0269	0.0256
Brugia malayi	Pepsin A precursor	0.0034	0.0057	0.0043
Plasmodium falciparum	calcium-dependent protein kinase 3	0.0032	0.0047	0.0207
Echinococcus multilocularis	glycine receptor subunit beta	0.0182	0.0634	0.0621
Onchocerca volvulus		0.0089	0.0269	0.1352
Brugia malayi	Carboxylesterase family protein	0.0436	0.1626	0.1614
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0045	0.0031
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0182	0.0634	0.0621
Leishmania major	glucose transporter, lmgt1	0.0032	0.0049	0.6871
Loa Loa (eye worm)	aspartic protease BmAsp-1	0.0034	0.0057	0.0043
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0182	0.0634	0.0621
Loa Loa (eye worm)	hypothetical protein	0.0436	0.1626	0.1614
Trichomonas vaginalis	sugar transporter, putative	0.0032	0.0049	0.0286
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0032	0.0047	0.0034
Schistosoma mansoni	acetylcholine receptor subunit beta	0.0089	0.0269	0.0256
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0182	0.0634	0.0621
Plasmodium falciparum	calcium-dependent protein kinase 1	0.0032	0.0047	0.0207
Echinococcus granulosus	nAChR subunit	0.0182	0.0634	0.0621
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0032	0.0047	0.0034
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0057	0.0043
Echinococcus granulosus	General substrate transporter	0.0089	0.0272	0.0258
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0182	0.0634	0.0621
Trichomonas vaginalis	sugar transporter, putative	0.0032	0.0049	0.0286
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase ID	0.0032	0.0047	0.0034
Plasmodium falciparum	plasmepsin IV	0.0034	0.0057	0.0266
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0031	0.0045	0.0031
Brugia malayi	hypothetical protein	0.0089	0.0269	0.0256
Trypanosoma brucei	glucose transporter 1E	0.0032	0.0049	0.6871
Trypanosoma cruzi	hexose transporter, putative	0.0032	0.0049	0.6871
Loa Loa (eye worm)	hypothetical protein	0.0182	0.0634	0.0621
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0182	0.0634	0.0621
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0093	0.0288	0.0275
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.0031	0.0045	0.0031
Schistosoma mansoni	neurotransmitter gated ion channel	0.0089	0.0269	0.0256
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0182	0.0634	0.0621
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0182	0.0634	0.0621
Brugia malayi	Amyloid A4 extracellular domain containing protein	0.0301	0.1101	0.1089
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0269	0.0256
Giardia lamblia	Prolyl-tRNA synthetase	0.0031	0.0045	1
Trypanosoma brucei	glucose transporter 2A	0.0032	0.0049	0.6871
Brugia malayi	Carboxylesterase family protein	0.0436	0.1626	0.1614
Brugia malayi	hypothetical protein	0.0089	0.0269	0.0256
Entamoeba histolytica	protein kinase, putative	0.0032	0.0047	0.1227
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0089	0.0269	0.0256
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0032	0.0047	0.0034
Plasmodium vivax	aspartyl protease, putative	0.0034	0.0057	0.0216
Loa Loa (eye worm)	hypothetical protein	0.0182	0.0634	0.0621
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0036	0.0065	1
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0034	0.0057	0.0043
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0269	0.0256
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0182	0.0634	0.0621
Plasmodium falciparum	plasmepsin VI	0.0034	0.0057	0.0266
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0182	0.0634	0.0621
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0436	0.1626	0.1614
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0182	0.0634	0.0621
Schistosoma mansoni	memapsin-2 (A01 family)	0.0854	0.3259	0.3249
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0093	0.0288	0.0275
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0032	0.0049	0.6871
Loa Loa (eye worm)	hypothetical protein	0.0182	0.0634	0.0621
Loa Loa (eye worm)	hypothetical protein	0.0436	0.1626	0.1614
Plasmodium falciparum	plasmepsin V	0.0034	0.0057	0.0266
Plasmodium falciparum	plasmepsin II	0.0034	0.0057	0.0266
Loa Loa (eye worm)	cytochrome P450 family protein	0.0032	0.0047	0.0033
Plasmodium vivax	calcium-dependent protein kinase 4, putative	0.0032	0.0047	0.0168
Loa Loa (eye worm)	acetylcholine receptor protein	0.0089	0.0269	0.0256
Loa Loa (eye worm)	hypothetical protein	0.2579	1	1
Loa Loa (eye worm)	hypothetical protein	0.0436	0.1626	0.1614
Schistosoma mansoni	nAChR subunit	0.0182	0.0634	0.0621
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0269	0.0256
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0182	0.0634	0.0621
Schistosoma mansoni	neurotransmitter gated ion channel	0.0093	0.0288	0.0275
Onchocerca volvulus		0.0093	0.0288	0.1473
Schistosoma mansoni	hypothetical protein	0.0187	0.0653	0.064
Trichomonas vaginalis	prolyl-tRNA synthetase, putative	0.0031	0.0045	0.0261
Onchocerca volvulus		0.0436	0.1626	1
Toxoplasma gondii	calcium-dependent protein kinase CDPK2B	0.0032	0.0047	0.032
Loa Loa (eye worm)	hypothetical protein	0.0577	0.2179	0.2168
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0089	0.0269	0.0256
Loa Loa (eye worm)	hypothetical protein	0.0182	0.0634	0.0621
Trichomonas vaginalis	glucose transporter, putative	0.0032	0.0049	0.0286
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0034	0.0057	0.0043
Echinococcus multilocularis	glutamyl tRNA synthetase cytoplasmic	0.0031	0.0045	0.0031
Loa Loa (eye worm)	hypothetical protein	0.0182	0.0634	0.0621
Onchocerca volvulus		0.0089	0.0269	0.1352
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0182	0.0634	0.0621
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0269	0.0256
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0182	0.0634	0.0621
Leishmania major	glucose transporter, lmgt2	0.0032	0.0049	0.6871
Brugia malayi	excitatory GABA receptor EXP-1A	0.0182	0.0634	0.0621
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0089	0.0269	0.0256
Loa Loa (eye worm)	hypothetical protein	0.0182	0.0634	0.0621
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0049	0.6871
Echinococcus granulosus	glycine receptor subunit beta	0.0182	0.0634	0.0621
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0057	0.0043
Schistosoma mansoni	nAChR subunit	0.0182	0.0634	0.0621
Toxoplasma gondii	aspartyl protease ASP3	0.0034	0.0057	0.0411
Echinococcus multilocularis	glycine receptor subunit beta	0.0182	0.0634	0.0621
Loa Loa (eye worm)	sugar transporter	0.0104	0.0329	0.0316
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0436	0.1626	1
Echinococcus granulosus	neuroligin	0.0436	0.1626	0.1614
Toxoplasma gondii	calcium-dependent protein kinase CDPK3	0.0032	0.0047	0.032
Plasmodium vivax	calcium-dependent protein kinase 1, putative	0.0032	0.0047	0.0168
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0269	0.0256
Echinococcus multilocularis	geminin	0.0187	0.0653	0.064
Onchocerca volvulus		0.0436	0.1626	1
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0182	0.0634	0.0621
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0182	0.0634	0.0621
Mycobacterium leprae	Probable prolyl tRNA synthetase ProS	0.0031	0.0045	1
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0269	0.0256
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0089	0.0269	0.0256
Toxoplasma gondii	aspartyl protease ASP1	0.0034	0.0057	0.0411
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0034	0.0057	0.0043
Loa Loa (eye worm)	carboxylesterase	0.0436	0.1626	0.1614
Loa Loa (eye worm)	hypothetical protein	0.2579	1	1
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0032	0.0049	0.6871
Onchocerca volvulus		0.0182	0.0634	0.3678
Onchocerca volvulus		0.0182	0.0634	0.3678
Echinococcus granulosus	carboxylesterase 5A	0.2579	1	1
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0032	0.0047	0.0034
Loa Loa (eye worm)	hypothetical protein	0.0182	0.0634	0.0621
Brugia malayi	Cam kinase protein 1	0.0032	0.0047	0.0034
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0288	0.0275
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0034	0.0057	0.0043
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0034	0.0057	0.0043
Schistosoma mansoni	hypothetical protein	0.0104	0.0329	0.0316
Plasmodium vivax	aspartyl protease, putative	0.0034	0.0057	0.0216
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0288	0.0275
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0182	0.0634	0.0621
Brugia malayi	Acetylcholine receptor protein, alpha-like chain 1 precursor	0.0089	0.0269	0.0256
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0269	0.0256
Echinococcus granulosus	glycine receptor subunit beta	0.0182	0.0634	0.0621
Brugia malayi	hypothetical protein	0.0436	0.1626	0.1614
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0182	0.0634	0.0621
Schistosoma mansoni	acetylcholinesterase	0.0436	0.1626	0.1614
Trichomonas vaginalis	sugar transporter, putative	0.0032	0.0049	0.0286
Plasmodium vivax	aspartyl proteinase, putative	0.0034	0.0057	0.0216
Schistosoma mansoni	nAChR subunit	0.0182	0.0634	0.0621
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0047	0.0034
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0182	0.0634	0.0621
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0034	0.0057	0.0043
Toxoplasma gondii	protein kinase, putative	0.0293	0.1069	1
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0182	0.0634	0.0621
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0182	0.0634	0.0621
Plasmodium vivax	aspartyl proteinase, putative	0.0034	0.0057	0.0216
Echinococcus multilocularis	nAChR subunit	0.0182	0.0634	0.0621
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0182	0.0634	0.0621
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0034	0.0057	0.0043
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0436	0.1626	0.1614
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0049	0.6871
Echinococcus granulosus	nAChR subunit	0.0093	0.0288	0.0275
Plasmodium falciparum	hexose transporter	0.0104	0.0329	0.1932
Plasmodium falciparum	plasmepsin VII	0.0034	0.0057	0.0266
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0104	0.0329	0.0316
Loa Loa (eye worm)	hypothetical protein	0.0128	0.0422	0.0409
Loa Loa (eye worm)	ACC-1 protein	0.0182	0.0634	0.0621
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0104	0.0329	0.0316
Loa Loa (eye worm)	acetylcholinesterase 1	0.2579	1	1
Brugia malayi	Cation transporter family protein	0.0182	0.0634	0.0621
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0032	0.0047	0.0034
Trichomonas vaginalis	conserved hypothetical protein	0.0104	0.0329	0.201
Toxoplasma gondii	calcium-dependent protein kinase CDPK2A	0.0032	0.0047	0.032
Schistosoma mansoni	glucose transport protein	0.0104	0.0329	0.0316
Echinococcus granulosus	geminin	0.0187	0.0653	0.064
Onchocerca volvulus		0.0182	0.0634	0.3678
Loa Loa (eye worm)	hypothetical protein	0.0436	0.1626	0.1614
Echinococcus multilocularis	General substrate transporter	0.0089	0.0272	0.0258
Loa Loa (eye worm)	carboxylesterase	0.2579	1	1
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0436	0.1626	1
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0182	0.0634	0.0621
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0093	0.0288	0.0275
Loa Loa (eye worm)	hypothetical protein	0.0182	0.0634	0.0621
Trypanosoma cruzi	hexose transporter, putative	0.0032	0.0049	0.6871
Onchocerca volvulus		0.0093	0.0288	0.1473
Loa Loa (eye worm)	hypothetical protein	0.0791	0.3015	0.3006
Plasmodium falciparum	calcium-dependent protein kinase 5	0.0032	0.0047	0.0207
Echinococcus multilocularis	nAChR subunit	0.0093	0.0288	0.0275
Schistosoma mansoni	gliotactin	0.0436	0.1626	0.1614
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0093	0.0288	0.0275
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0182	0.0634	0.0621
Echinococcus multilocularis	acetylcholinesterase	0.2579	1	1
Loa Loa (eye worm)	hypothetical protein	0.0182	0.0634	0.0621
Echinococcus multilocularis	gamma aminobutyric acid receptor subunit	0.0089	0.0269	0.0256
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0032	0.0047	0.0034
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0182	0.0634	0.0621
Schistosoma mansoni	nAChR subunit	0.0182	0.0634	0.0621
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0182	0.0634	0.0621
Plasmodium vivax	plasmepsin V, putative	0.0034	0.0057	0.0216
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0034	0.0057	0.0043
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0182	0.0634	0.0621
Toxoplasma gondii	cell-cycle-associated protein kinase MAPK, putative	0.0168	0.0579	0.5352
Schistosoma mansoni	BC026374 protein (S09 family)	0.0436	0.1626	0.1614
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0182	0.0634	0.0621
Loa Loa (eye worm)	ACC-1 protein	0.0182	0.0634	0.0621
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0182	0.0634	0.0621
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0288	0.0275
Plasmodium falciparum	protein kinase 6	0.0441	0.1645	1
Plasmodium falciparum	plasmepsin IX	0.0034	0.0057	0.0266
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0269	0.0256
Schistosoma mansoni	acetylcholine receptor-related	0.0089	0.0269	0.0256
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0049	0.6871
Plasmodium vivax	aspartyl protease, putative	0.0034	0.0057	0.0216
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0182	0.0634	0.0621
Plasmodium falciparum	plasmepsin I	0.0034	0.0057	0.0266
Entamoeba histolytica	hypothetical protein	0.0093	0.0288	1
Trypanosoma cruzi	hexose transporter	0.0032	0.0049	0.6871
Schistosoma mansoni	nAChR subunit	0.0182	0.0634	0.0621
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0089	0.0269	0.0256
Plasmodium falciparum	plasmepsin X	0.0034	0.0057	0.0266
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0182	0.0634	0.0621
Loa Loa (eye worm)	CAMK/CAMK2 protein kinase	0.0032	0.0047	0.0034
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0172	0.0159
Echinococcus granulosus	acetylcholinesterase	0.2579	1	1
Brugia malayi	Cation transporter family protein	0.0182	0.0634	0.0621
Loa Loa (eye worm)	GABA receptor subunit	0.0093	0.0288	0.0275
Schistosoma mansoni	nAChR subunit	0.0089	0.0269	0.0256
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0049	0.0286
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0032	0.0049	0.6871
Schistosoma mansoni	nAChR subunit	0.0089	0.0269	0.0256
Plasmodium vivax	CDK-related protein kinase 6, putative	0.0441	0.1645	0.8124
Brugia malayi	aspartic protease BmAsp-2, identical	0.0034	0.0057	0.0043
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0269	0.0256
Trypanosoma cruzi	hexose transporter, putative	0.0032	0.0049	0.6871
Toxoplasma gondii	prolyl-tRNA synthetase (ProRS)	0.0036	0.0065	0.0486
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0093	0.0288	0.0275
Echinococcus granulosus	calcium dependent protein kinase	0.003	0.004	0.0026
Loa Loa (eye worm)	hypothetical protein	0.0436	0.1626	0.1614
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0104	0.0329	0.0316
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0182	0.0634	0.0621
Schistosoma mansoni	glucose transport protein	0.0104	0.0329	0.0316
Brugia malayi	Carboxylesterase family protein	0.0436	0.1626	0.1614
Plasmodium vivax	proline--tRNA ligase, putative	0.0036	0.0065	0.0256
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0182	0.0634	0.0621
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0034	0.0057	0.0043
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0104	0.0329	0.0316
Brugia malayi	Cation transporter family protein	0.0182	0.0634	0.0621
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0182	0.0634	0.0621
Mycobacterium leprae	Possible lysyl-tRNA synthetase 2 LysX	0.0023	0.0014	0.3046
Schistosoma mansoni	protein kinase	0.0032	0.0047	0.0034
Loa Loa (eye worm)	hypothetical protein	0.0238	0.0851	0.0839
Plasmodium falciparum	plasmepsin VIII, putative	0.0034	0.0057	0.0266
Schistosoma mansoni	alzheimer's disease beta-amyloid related	0.011	0.0353	0.0339
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0049	0.6871
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0049	0.0286
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0436	0.1626	0.1614
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0034	0.0057	0.0411
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0032	0.0049	0.6871
Echinococcus multilocularis	neuroligin	0.0436	0.1626	0.1614
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0269	0.0256
Onchocerca volvulus		0.0089	0.0269	0.1352
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0182	0.0634	0.0621
Trichomonas vaginalis	spcc417.12 protein, putative	0.0436	0.1626	1
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0032	0.0047	0.0034
Brugia malayi	Eukaryotic aspartyl protease family protein	0.0034	0.0057	0.0043
Brugia malayi	hypothetical protein	0.0089	0.0269	0.0256
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type 1	0.0032	0.0047	0.0034
Loa Loa (eye worm)	hypothetical protein	0.0182	0.0634	0.0621
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0182	0.0634	0.0621
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0269	0.0256
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0022	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0436	0.1626	0.1614
Echinococcus multilocularis	acetylcholinesterase	0.2579	1	1
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0182	0.0634	0.0621
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0104	0.0329	0.0316
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0436	0.1626	0.1614
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0034	0.0057	0.0043
Echinococcus multilocularis	calcium dependent protein kinase	0.003	0.004	0.0026
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.2579	1	1
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0436	0.1626	0.1614
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0269	0.0256
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0049	0.6871
Brugia malayi	aspartic protease BmAsp-1, identical	0.0034	0.0057	0.0043
Plasmodium falciparum	mitogen-activated protein kinase 2	0.0168	0.0579	0.3464
Loa Loa (eye worm)	hypothetical protein	0.0182	0.0634	0.0621
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0436	0.1626	1
Schistosoma mansoni	serine/threonine protein kinase	0.0032	0.0047	0.0034
Schistosoma mansoni	neurotransmitter gated ion channel	0.0089	0.0269	0.0256
Schistosoma mansoni	protein kinase	0.0032	0.0047	0.0034
Onchocerca volvulus	Putative nachr subunit	0.0182	0.0634	0.3678
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0182	0.0634	0.0621
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0182	0.0634	0.0621
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0666	0.2525	0.2515
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0104	0.0329	0.0316
Toxoplasma gondii	facilitative glucose transporter GT1	0.0104	0.0329	0.2985
Loa Loa (eye worm)	neuronal acetylcholine receptor protein	0.0089	0.0269	0.0256
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0023	0.0014	0.0069
Toxoplasma gondii	eukaryotic aspartyl protease superfamily protein	0.0034	0.0057	0.0411
Loa Loa (eye worm)	hypothetical protein	0.0182	0.0634	0.0621
Schistosoma mansoni	glucose transport protein	0.0104	0.0329	0.0316
Loa Loa (eye worm)	hypothetical protein	0.0182	0.0634	0.0621
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0182	0.0634	0.0621
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0031	0.0045	0.0031
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0036	0.0065	1
Echinococcus granulosus	glutamyl tRNA synthetase cytoplasmic	0.0031	0.0045	0.0031
Plasmodium vivax	mitogen-activated protein kinase 2, putative	0.0168	0.0579	0.2814
Brugia malayi	hypothetical protein	0.0034	0.0057	0.0043
Brugia malayi	Sugar transporter family protein	0.0104	0.0329	0.0316
Plasmodium falciparum	protein kinase 7	0.0293	0.1069	0.6471
Brugia malayi	Cytochrome P450 family protein	0.0032	0.0047	0.0033
Schistosoma mansoni	protein kinase	0.0032	0.0047	0.0034
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0182	0.0634	0.0621
Echinococcus granulosus	gamma aminobutyric acid receptor subunit	0.0089	0.0269	0.0256
Loa Loa (eye worm)	carboxylesterase	0.0436	0.1626	0.1614
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0269	0.0256
Echinococcus multilocularis	para nitrobenzyl esterase	0.0436	0.1626	0.1614
Plasmodium falciparum	plasmepsin III	0.0034	0.0057	0.0266
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0182	0.0634	0.0621
Loa Loa (eye worm)	hypothetical protein	0.0182	0.0634	0.0621
Loa Loa (eye worm)	LGC-31 protein	0.0182	0.0634	0.0621
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0049	0.6871
Onchocerca volvulus		0.0182	0.0634	0.3678
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0036	0.0065	1
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0288	0.0275
Loa Loa (eye worm)	hypothetical protein	0.0182	0.0634	0.0621
Trypanosoma brucei	bifunctional aminoacyl-tRNA synthetase, putative	0.0036	0.0065	1
Schistosoma mansoni	hypothetical protein	0.0187	0.0653	0.064
Onchocerca volvulus		0.0436	0.1626	1
Entamoeba histolytica	prolyl-tRNA synthetase, putative	0.0031	0.0045	0.1135
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0034	0.0057	0.0043
Schistosoma mansoni	nAChR subunit	0.0182	0.0634	0.0621
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0182	0.0634	0.0621
Brugia malayi	Bifunctional aminoacyl-tRNA synthetase	0.0031	0.0045	0.0031
Plasmodium falciparum	calcium-dependent protein kinase 4	0.0032	0.0047	0.0207
Brugia malayi	hypothetical protein	0.0089	0.0269	0.0256
Echinococcus multilocularis	carboxylesterase 5A	0.2579	1	1
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0269	0.0256
Brugia malayi	Carboxylesterase family protein	0.0436	0.1626	0.1614
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0182	0.0634	0.0621
Chlamydia trachomatis	lysine--tRNA ligase	0.0023	0.0014	0.5
Plasmodium vivax	calcium-dependent protein kinase 3, putative	0.0032	0.0047	0.0168
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0032	0.0047	0.0034
Leishmania major	glucose transporter, lmgt3	0.0032	0.0049	0.6871
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0436	0.1626	1
Toxoplasma gondii	aspartyl protease	0.0034	0.0057	0.0411
Plasmodium falciparum	proline--tRNA ligase	0.0036	0.0065	0.0315

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	3.2944 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	18.526 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 22.3872 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))]	ChEMBL.	No reference
Potency (functional)	50.1187 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)	= 100 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

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1429478

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1310513