TDR Targets

Basic information

Technical information

TDR Targets ID: 162039
Name: (2R)-5-(diaminomethylideneamino)-2-[2-[2-[6-( dimethylamino)purin-9-yl]ethylamino]ethoxycar bonylamino]pentanoic acid
MW: 450.495 | Formula: C18H30N10O4
H donors: 5 H acceptors: 6 LogP: -3.37 Rotable bonds: 16
Rule of 5 violations (Lipinski): 1
SMILES: NC(=N)NCCC[C@H](C(=O)O)NC(=O)OCCNCCn1cnc2c1ncnc2N(C)C
InChi: 1S/C18H30N10O4/c1-27(2)14-13-15(24-10-23-14)28(11-25-13)8-6-21-7-9-32-18(31)26-12(16(29)30)4-3-5-22-17(19)20/h10-12,21H,3-9H2,1-2H3,(H,26,31)(H,29,30)(H4,19,20,22)/t12-/m1/s1
InChiKey: UFQRDQRNYPCSNF-GFCCVEGCSA-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

(2R)-2-[2-[2-[6-(dimethylamino)purin-9-yl]ethylamino]ethoxycarbonylamino]-5-guanidino-pentanoic acid
(2R)-2-[[2-[2-[6-(dimethylamino)-9-purinyl]ethylamino]ethoxy-oxomethyl]amino]-5-guanidinopentanoic acid
(2R)-5-[bis(azanyl)methylideneamino]-2-[2-[2-[6-(dimethylamino)purin-9-yl]ethylamino]ethoxycarbonylamino]pentanoic acid
(2R)-2-[2-[2-[6-(dimethylamino)purin-9-yl]ethylamino]ethoxycarbonylamino]-5-guanidino-valeric acid

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
Echinococcus multilocularis	nibrin	0.001	0.012	0.012
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0078	0.0078
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0011	0.0127	0.0127
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0011	0.0127	0.0127
Brugia malayi	Patched family protein	0.0006	0.0017	0.0027
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0011	0.0127	0.0127
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0017	0.0027
Brugia malayi	photoreceptor-specific nuclear receptor	0.0011	0.0127	0.0206
Onchocerca volvulus		0.0007	0.0043	0.0234
Onchocerca volvulus		0.0028	0.057	0.4908
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0093	0.2228	0.3616
Giardia lamblia	Kinase, CMGC GSK	0.0047	0.1049	1
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0037	0.0787	0.7457
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0017	0.0027
Brugia malayi	Patched related family protein 10	0.0006	0.0017	0.0027
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0011	0.0127	0.0127
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0017	0.0027
Mycobacterium leprae	PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+])	0.001	0.012	0.0304
Schistosoma mansoni	hypothetical protein	0.0043	0.0943	0.0943
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.001	0.012	0.0981
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0011	0.0127	0.0206
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0011	0.0127	0.0127
Schistosoma mansoni	topbp1	0.001	0.012	0.012
Trypanosoma brucei	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.001	0.012	0.0304
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.2228	0.2228
Brugia malayi	Patched family protein	0.0006	0.0017	0.0027
Entamoeba histolytica	Activator 1 140 kDa subunit, putative	0.001	0.012	0.0315
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0007	0.0043	0.0101
Onchocerca volvulus		0.0007	0.0043	0.0234
Echinococcus multilocularis	geminin	0.0343	0.8577	0.8577
Brugia malayi	hypothetical protein	0.0006	0.0017	0.0027
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0043	0.0101
Schistosoma mansoni	patched 1	0.0044	0.0984	0.0984
Brugia malayi	Patched family protein	0.0006	0.0017	0.0027
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0025	0.049	0.1848
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0007	0.0043	0.007
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0011	0.0127	0.0206
Mycobacterium ulcerans	inosine 5-monophosphate dehydrogenase	0.0107	0.2573	1
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0007	0.0035	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0017	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0017	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0025	0.049	0.0795
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0017	0.0027
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.049	0.1765
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0017	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0017	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0127	0.0206
Leishmania major	glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270	0.0047	0.1049	0.3977
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0017	0.0027
Echinococcus granulosus	protein kinase shaggy	0.0047	0.1049	0.1049
Brugia malayi	Patched family protein	0.0006	0.0017	0.0027
Onchocerca volvulus		0.0007	0.0043	0.0234
Brugia malayi	Patched family protein	0.0006	0.0017	0.0027
Echinococcus multilocularis	expressed conserved protein	0.0097	0.2323	0.2323
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0093	0.2228	0.3616
Echinococcus multilocularis	inositol monophosphatase 1	0.0037	0.0787	0.0787
Brugia malayi	Patched family protein	0.0006	0.0017	0.0027
Brugia malayi	Patched family protein	0.0006	0.0017	0.0027
Echinococcus multilocularis	Niemann Pick C1 protein	0.0148	0.3609	0.3609
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0047	0.1049	0.1703
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0011	0.0127	0.0206
Trypanosoma cruzi	GMP reductase	0.0107	0.2573	1
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0033	0.069	0.2631
Loa Loa (eye worm)	hypothetical protein	0.001	0.012	0.0195
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.049	0.0795
Echinococcus granulosus	ecdysone induced protein 78C	0.0011	0.0127	0.0127
Brugia malayi	Patched family protein	0.0006	0.0017	0.0027
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0011	0.0127	0.0206
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0017	0.0027
Trichomonas vaginalis	antibiotic synthetase, putative	0.0007	0.0043	0.0235
Trypanosoma cruzi	GMP reductase	0.0107	0.2573	1
Toxoplasma gondii	propionate-CoA ligase	0.0007	0.0043	0.0103
Brugia malayi	hypothetical protein	0.0006	0.0017	0.0027
Brugia malayi	Pax transcription activation domain interacting protein	0.001	0.012	0.0195
Loa Loa (eye worm)	patched family protein	0.0006	0.0017	0.0027
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0015	0.0249	0.0249
Schistosoma mansoni	acetyl-CoA synthetase	0.0007	0.0043	0.0043
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0017	0.0027
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0047	0.1049	0.1703
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0037	0.0787	0.7457
Schistosoma mansoni	thyroid hormone receptor	0.0011	0.0127	0.0127
Schistosoma mansoni	cpg binding protein	0.003	0.061	0.061
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0025	0.049	0.183
Trichomonas vaginalis	antibiotic synthetase, putative	0.0007	0.0043	0.0235
Trypanosoma cruzi	inosine-5'-monophosphate dehydrogenase, putative	0.0107	0.2573	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.049	0.1765
Brugia malayi	Inositol-1	0.0037	0.0787	0.1278
Trypanosoma cruzi	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.001	0.012	0.0304
Loa Loa (eye worm)	hypothetical protein	0.0019	0.033	0.0535
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.049	0.1765
Toxoplasma gondii	Acetyl-coenzyme A synthetase 2, putative	0.0007	0.0043	0.0103
Echinococcus multilocularis	FTZ F1 alpha	0.0011	0.0127	0.0127
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0015	0.0249	0.0249
Loa Loa (eye worm)	hypothetical protein	0.001	0.012	0.0195
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0017	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0017	0.0027
Echinococcus granulosus	GPCR family 2	0.0015	0.0249	0.0249
Echinococcus granulosus	nibrin	0.001	0.012	0.012
Echinococcus multilocularis	glycogen synthase kinase 3 beta	0.0047	0.1049	0.1049
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0011	0.0127	0.0206
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0037	0.0787	0.305
Loa Loa (eye worm)	hypothetical protein	0.001	0.012	0.0195
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0007	0.0043	0.0101
Echinococcus multilocularis	Niemann Pick C1 protein	0.0103	0.2482	0.2482
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0078	0.0078
Plasmodium vivax	acyl-CoA synthetase, putative	0.0019	0.033	0.1225
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0025	0.049	0.1765
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0019	0.033	0.1223
Brugia malayi	Latrophilin receptor protein 2	0.0015	0.0249	0.0404
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0051	0.1143	0.1856
Schistosoma mansoni	hypothetical protein	0.0015	0.0249	0.0249
Entamoeba histolytica	protein kinase, putative	0.0047	0.1049	0.4124
Loa Loa (eye worm)	hypothetical protein	0.001	0.012	0.0195
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.0007	0.0043	0.0103
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0093	0.2228	0.2228
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0007	0.0035	0.0035
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0037	0.0787	0.2941
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0007	0.0035	0.0035
Entamoeba histolytica	protein kinase domain containing protein	0.0047	0.1049	0.4124
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.049	0.1765
Brugia malayi	AMP-binding enzyme family protein	0.0007	0.0043	0.007
Echinococcus granulosus	geminin	0.0343	0.8577	0.8577
Echinococcus granulosus	FTZ F1 alpha	0.0011	0.0127	0.0127
Schistosoma mansoni	hypothetical protein	0.0343	0.8577	0.8577
Schistosoma mansoni	cpg binding protein	0.0028	0.057	0.057
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0017	0.0027
Schistosoma mansoni	hypothetical protein	0.0043	0.0943	0.0943
Brugia malayi	inosine-5'-monophosphate dehydrogenase family protein	0.0107	0.2573	0.4176
Echinococcus multilocularis	acetyl coenzyme A synthetase, cytoplasmic	0.0007	0.0043	0.0043
Echinococcus granulosus	Niemann Pick C1 protein	0.0103	0.2482	0.2482
Echinococcus multilocularis	protein patched	0.0044	0.0984	0.0984
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0093	0.2228	0.2228
Loa Loa (eye worm)	IMP dehydrogenase 1	0.0107	0.2573	0.4176
Plasmodium vivax	replication factor C subunit 1, putative	0.001	0.012	0.0404
Brugia malayi	ATP dependent DNA ligase C terminal region family protein	0.001	0.012	0.0195
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0015	0.0249	0.0249
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0037	0.0787	0.272
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0011	0.0127	0.0206
Schistosoma mansoni	inositol monophosphatase	0.0037	0.0787	0.0787
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0007	0.0043	0.007
Echinococcus granulosus	inosine 5' monophosphate dehydrogenase 2	0.0107	0.2573	0.2573
Leishmania major	inosine-5-monophosphate dehydrogenase	0.0107	0.2573	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0127	0.0206
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0011	0.0127	0.0127
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0127	0.0206
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0025	0.049	0.183
Toxoplasma gondii	poly(ADP-ribose) polymerase catalytic domain-containing protein	0.001	0.012	0.0404
Trypanosoma brucei	inosine-5'-monophosphate dehydrogenase	0.0107	0.2573	1
Trichomonas vaginalis	CMGC family protein kinase	0.0047	0.1049	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0035	0.0035
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0011	0.0127	0.0127
Loa Loa (eye worm)	GMP reductase	0.0047	0.1057	0.1716
Brugia malayi	Patched related family protein 12	0.0006	0.0017	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0043	0.007
Toxoplasma gondii	ATPase, AAA family protein	0.001	0.012	0.0404
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0304	0.1122
Brugia malayi	Nuclear hormone receptor-like 1	0.0011	0.0127	0.0206
Onchocerca volvulus		0.0051	0.1143	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0127	0.0206
Brugia malayi	acetyl-Coenzyme A synthetase 2	0.0007	0.0043	0.007
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0787	0.2941
Wolbachia endosymbiont of Brugia malayi	IMP dehydrogenase	0.0107	0.2573	1
Brugia malayi	ecdysteroid receptor	0.0011	0.0127	0.0206
Mycobacterium leprae	Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena	0.006	0.1373	0.5258
Brugia malayi	protein C24B5.3	0.0006	0.0017	0.0027
Schistosoma mansoni	hypothetical protein	0.0015	0.0249	0.0249
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0011	0.0127	0.0206
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0011	0.0127	0.0127
Brugia malayi	AMP-binding enzyme family protein	0.0007	0.0043	0.007
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0017	0.0027
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0025	0.049	0.1765
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0025	0.049	0.1765
Brugia malayi	Patched family protein	0.0006	0.0017	0.0027
Echinococcus granulosus	Protein patched homolog 1	0.0044	0.0984	0.0984
Brugia malayi	nuclear hormone receptor	0.0011	0.0127	0.0206
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0703	0.114
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0043	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0017	0.0027
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.012	0.0981
Toxoplasma gondii	IMP dehydrogenas	0.0107	0.2573	1
Schistosoma mansoni	inositol monophosphatase	0.0037	0.0787	0.0787
Brugia malayi	Patched family protein	0.0006	0.0017	0.0027
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0078	0.0127
Loa Loa (eye worm)	steroid hormone receptor	0.0011	0.0127	0.0206
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0007	0.0043	0.0101
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.012	0.0981
Brugia malayi	hypothetical protein	0.0006	0.0017	0.0027
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0011	0.0127	0.0127
Brugia malayi	hypothetical protein	0.0006	0.0017	0.0027
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0007	0.0043	0.0101
Mycobacterium ulcerans	inosine 5'-monophosphate dehydrogenase	0.0107	0.2573	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0011	0.0127	0.0127
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0017	0.0027
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0011	0.0127	0.0206
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0007	0.0043	0.007
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0044	0.0984	0.1597
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0043	0.0101
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.049	0.1765
Plasmodium vivax	inosine-5'-monophosphate dehydrogenase, putative	0.0107	0.2573	1
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0017	0.0027
Brugia malayi	Patched family protein	0.0006	0.0017	0.0027
Schistosoma mansoni	hypothetical protein	0.0343	0.8577	0.8577
Schistosoma mansoni	DNA ligase IV	0.001	0.012	0.012
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0017	0.0027
Schistosoma mansoni	hypothetical protein	0.0043	0.0943	0.0943
Onchocerca volvulus		0.0047	0.1049	0.9163
Brugia malayi	AMP-binding enzyme family protein	0.0007	0.0043	0.007
Brugia malayi	AMP-binding enzyme family protein	0.0007	0.0043	0.007
Loa Loa (eye worm)	hypothetical protein	0.0054	0.1237	0.2008
Echinococcus multilocularis	inosine 5' monophosphate dehydrogenase 2	0.0107	0.2573	0.2573
Onchocerca volvulus	Protein ultraspiracle homolog	0.0011	0.0127	0.0979
Schistosoma mansoni	coup transcription factor	0.0011	0.0127	0.0127
Schistosoma mansoni	hypothetical protein	0.0015	0.0249	0.0249
Brugia malayi	Patched related family protein 4	0.0006	0.0017	0.0027
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0011	0.0127	0.0127
Schistosoma mansoni	RAR-like nuclear receptor	0.0011	0.0127	0.0127
Entamoeba histolytica	acyl-coA synthetase, putative	0.0025	0.049	0.183
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.1094	0.1775
Trypanosoma cruzi	FHA domain containing protein, putative	0.001	0.012	0.0304
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0019	0.033	0.1133
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0017	0.0027
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0093	0.2228	0.2228
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0017	0.0027
Trypanosoma brucei	protein kinase, putative	0.0047	0.1049	0.3977
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0011	0.0127	0.0127
Mycobacterium ulcerans	inosine 5-monophosphate dehydrogenase	0.0047	0.1057	0.4009
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.012	0.0981
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.049	0.0795
Echinococcus granulosus	acetyl coenzyme A synthetase cytoplasmic	0.0007	0.0043	0.0043
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.001	0.012	0.0981
Brugia malayi	hypothetical protein	0.001	0.012	0.0195
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.057	0.0925
Echinococcus multilocularis	survival motor neuron protein 1	0.0248	0.6162	0.6162
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0017	0.0027
Echinococcus granulosus	sterol regulatory element binding protein	0.0044	0.0984	0.0984
Echinococcus granulosus	survival motor neuron protein 1	0.0248	0.6162	0.6162
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0015	0.0249	0.0249
Brugia malayi	steroid hormone receptor	0.0011	0.0127	0.0206
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0017	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0249	0.0404
Plasmodium falciparum	acetyl-CoA synthetase, putative	0.0007	0.0043	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0127	0.0206
Loa Loa (eye worm)	hypothetical protein	0.0019	0.033	0.0535
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0007	0.0043	0.0101
Echinococcus multilocularis	protein dispatched 1	0.0051	0.1143	0.1143
Brugia malayi	Steroid receptor seven-up type 2	0.0011	0.0127	0.0206
Loa Loa (eye worm)	hypothetical protein	0.0025	0.049	0.0795
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0011	0.0127	0.0206
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.1094	0.1775
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0017	0.0027
Trypanosoma cruzi	inosine-5'-monophosphate dehydrogenase, putative	0.0107	0.2573	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0011	0.0127	0.0127
Echinococcus granulosus	inositol monophosphatase 1	0.0037	0.0787	0.0787
Entamoeba histolytica	hypothetical protein	0.001	0.012	0.0315
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0043	0.007
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0304	0.1122
Brugia malayi	hypothetical protein	0.0248	0.6162	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0011	0.0127	0.0127
Schistosoma mansoni	hypothetical protein	0.0051	0.1143	0.1143
Schistosoma mansoni	cpg binding protein	0.003	0.061	0.061
Mycobacterium ulcerans	hypothetical protein	0.0025	0.049	0.1765
Loa Loa (eye worm)	hypothetical protein	0.0248	0.6162	1
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0017	0.0027
Echinococcus multilocularis	replication factor c subunit 1	0.001	0.012	0.012
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0105	0.2523	0.2523
Plasmodium falciparum	replication factor C subunit 1, putative	0.001	0.012	0.0404
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0103	0.2482	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0127	0.0206
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0984	0.1597
Brugia malayi	GMP reductase	0.0047	0.1057	0.1716
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0043	0.0101
Mycobacterium ulcerans	NAD-dependent DNA ligase LigA	0.001	0.012	0.0304
Loa Loa (eye worm)	hypothetical protein	0.0019	0.033	0.0535
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0011	0.0127	0.0127
Entamoeba histolytica	protein kinase domain containing protein	0.0047	0.1049	0.4124
Schistosoma mansoni	survival motor neuron protein	0.0051	0.1143	0.1143
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.2228	0.2228
Echinococcus granulosus	replication factor c subunit 1	0.001	0.012	0.012
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0025	0.049	0.1765
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0011	0.0127	0.0206
Loa Loa (eye worm)	inositol-1	0.0037	0.0787	0.1278
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0011	0.0127	0.0206
Schistosoma mansoni	inosine-5-monophosphate dehydrogenase	0.0107	0.2573	0.2573
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0025	0.049	0.1765
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0017	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1094	0.1775
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0703	0.114
Schistosoma mansoni	chromosome transmission fidelity factor	0.001	0.012	0.012
Schistosoma mansoni	thyroid hormone receptor	0.0011	0.0127	0.0127
Trypanosoma cruzi	glycogen synthase kinase 3, putative	0.0047	0.1049	0.3977
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0011	0.0127	0.0127
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0011	0.0127	0.0127
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0304	0.1122
Plasmodium vivax	acetyl-CoA synthetase, putative	0.0007	0.0043	0.0103
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0037	0.0787	0.3014
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0017	0.0027
Brugia malayi	Patched family protein	0.0006	0.0017	0.0027
Schistosoma mansoni	glycogen synthase kinase 3-related (gsk3) (cmgc group III)	0.0047	0.1049	0.1049
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0011	0.0127	0.0979
Brugia malayi	hypothetical protein	0.001	0.012	0.0195
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0787	0.2941
Loa Loa (eye worm)	patched family protein	0.0006	0.0017	0.0027
Brugia malayi	DKFZp564C0469 protein	0.001	0.012	0.0195
Brugia malayi	CXXC zinc finger family protein	0.0028	0.057	0.0925
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0304	0.1122
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0093	0.2228	0.2228
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0011	0.0127	0.0127
Mycobacterium tuberculosis	Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase	0.0107	0.2573	1
Onchocerca volvulus		0.0011	0.0127	0.0979
Plasmodium vivax	glycogen synthase kinase 3, putative	0.0047	0.1049	0.4039
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.012	0.0981
Plasmodium falciparum	acyl-CoA synthetase	0.0019	0.033	0.1225
Giardia lamblia	Kinase, CMGC GSK	0.0047	0.1049	1
Echinococcus granulosus	Niemann Pick C1 protein	0.0148	0.3609	0.3609
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0017	0.0027
Schistosoma mansoni	nuclear hormone receptor	0.0011	0.0127	0.0127
Trichomonas vaginalis	CMGC family protein kinase	0.0047	0.1049	1
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0053	0.1207	0.4655
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0011	0.0127	0.0206
Loa Loa (eye worm)	oxidoreductase	0.0007	0.0043	0.007
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0075	0.0122
Plasmodium falciparum	inosine-5'-monophosphate dehydrogenase	0.0107	0.2573	1
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0033	0.069	0.2556
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0017	0.0027
Leishmania major	guanosine monophosphate reductase	0.0107	0.2573	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0025	0.049	0.1848
Onchocerca volvulus		0.0025	0.049	0.4197
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0011	0.0127	0.0127
Loa Loa (eye worm)	hypothetical protein	0.0025	0.049	0.0795
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0011	0.0127	0.0206
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0007	0.0043	0.0101
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0011	0.0127	0.0206
Trypanosoma cruzi	hypothetical protein, conserved	0.001	0.012	0.0304
Loa Loa (eye worm)	patched family protein	0.0006	0.0017	0.0027
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.049	0.1765
Loa Loa (eye worm)	hypothetical protein	0.0019	0.033	0.0535
Echinococcus multilocularis	cpg binding protein	0.003	0.061	0.061
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0025	0.049	0.1765
Trichomonas vaginalis	replication factor C large subunit, putative	0.001	0.012	0.0981
Brugia malayi	Patched family protein	0.0006	0.0017	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0017	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0019	0.033	0.0535
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0015	0.0249	0.0404
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0011	0.0127	0.0206
Schistosoma mansoni	hypothetical protein	0.04	1	1
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0007	0.0043	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0017	0.0027
Schistosoma mansoni	topbp1	0.001	0.012	0.012
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0011	0.0127	0.0127
Brugia malayi	inosine-5'-monophosphate dehydrogenase	0.0047	0.1057	0.1716
Echinococcus multilocularis	dnaJ subfamily B	0.04	1	1
Toxoplasma gondii	cell-cycle-associated protein kinase GSK, putative	0.0047	0.1049	0.4039
Schistosoma mansoni	hypothetical protein	0.0043	0.0943	0.0943
Plasmodium falciparum	glycogen synthase kinase 3	0.0047	0.1049	0.4039
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0059	0.1368	0.1368
Mycobacterium leprae	Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD)	0.0107	0.2573	1
Trypanosoma brucei	GMP reductase	0.0107	0.2573	1
Loa Loa (eye worm)	patched family protein	0.0006	0.0017	0.0027
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0011	0.0127	0.0206
Echinococcus multilocularis	GPCR, family 2	0.0015	0.0249	0.0249
Schistosoma mansoni	hypothetical protein	0.0033	0.0703	0.0703
Echinococcus granulosus	cpg binding protein	0.003	0.061	0.061
Brugia malayi	topoisomerase	0.001	0.012	0.0195
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0011	0.0127	0.0206
Loa Loa (eye worm)	hypothetical protein	0.001	0.012	0.0195
Loa Loa (eye worm)	patched family protein	0.0006	0.0017	0.0027
Echinococcus granulosus	expressed conserved protein	0.0097	0.2323	0.2323
Brugia malayi	Patched family protein	0.0006	0.0017	0.0027
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0787	0.2941
Loa Loa (eye worm)	hypothetical protein	0.001	0.012	0.0195
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0011	0.0127	0.0127
Brugia malayi	nuclear receptor NHR-88	0.0011	0.0127	0.0206
Onchocerca volvulus		0.0007	0.0043	0.0234
Echinococcus granulosus	glycogen synthase kinase 3 beta	0.0047	0.1049	0.1049
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0019	0.033	1
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.049	0.0795
Brugia malayi	Myosin head containing protein	0.0006	0.0017	0.0027
Brugia malayi	intracellular kinase	0.0047	0.1049	0.1703
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.2228	0.2228
Brugia malayi	CHE-14 protein	0.0044	0.0984	0.1597
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0127	0.0206
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.1094	0.1775
Trypanosoma cruzi	hypothetical protein, conserved	0.001	0.012	0.0304
Echinococcus multilocularis	sterol regulatory element binding protein	0.0044	0.0984	0.0984
Onchocerca volvulus	Putative GMP reductase	0.0047	0.1057	0.9235
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0011	0.0127	0.0206
Echinococcus multilocularis	protein kinase shaggy	0.0047	0.1049	0.1049
Brugia malayi	Niemann-Pick C1 protein precursor	0.0103	0.2482	0.4029
Echinococcus multilocularis	ecdysone induced protein 78C	0.0011	0.0127	0.0127
Schistosoma mansoni	hypothetical protein	0.0015	0.0249	0.0249
Loa Loa (eye worm)	hypothetical protein	0.0103	0.2482	0.4029
Mycobacterium tuberculosis	Probable inosine-5'-monophosphate dehydrogenase GuaB3 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase	0.006	0.1373	0.5306
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0007	0.0035	0.0035
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.001	0.012	0.0981
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0011	0.0127	0.0127
Brugia malayi	inosine-5'-monophosphate dehydrogenase	0.0047	0.1057	0.1716
Onchocerca volvulus	Bile acid receptor homolog	0.0011	0.0127	0.0979
Brugia malayi	protein C24B5.3	0.0006	0.0017	0.0027
Onchocerca volvulus		0.001	0.012	0.0917
Trypanosoma cruzi	inosine-5'-monophosphate dehydrogenase, putative	0.0107	0.2573	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0015	0.0249	0.0404
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.001	0.012	0.0981
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.012	0.0981
Trichomonas vaginalis	inositol monophosphatase, putative	0.0037	0.0787	0.7457
Treponema pallidum	DNA ligase (lig)	0.001	0.012	0.5
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0787	0.2941
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0017	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0127	0.0206
Brugia malayi	Patched protein homolog 1	0.0006	0.0017	0.0027
Brugia malayi	Patched family protein	0.0006	0.0017	0.0027
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0011	0.0127	0.0206
Trichomonas vaginalis	conserved hypothetical protein	0.0044	0.0984	0.9367
Mycobacterium leprae	PROBABLE INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE GUAB1(IMP DEHYDROGENASE) (IMPDH) (IMPD)	0.0047	0.1057	0.4009
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0011	0.0127	0.0206

Activities

Activity type	Activity value	Assay description	Source	Reference
CTL activity (functional)	+ 0 M	In vitro cytotoxic T-Lymphocyte (CTL) activity of the compound relative to interleukin 2 was obtained at a concentration of 10 e -9 M (+++ represents 61 - 80% of interleukin 2.)	ChEMBL.	9288170

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

PubChem: 10742187

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 162039