TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 447.442 | Formula: C20H25N5O7
H donors: 7 H acceptors: 7 LogP: -1.18 Rotable bonds: 12
Rule of 5 violations (Lipinski): 2
SMILES: OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)[C@H](CCCc1c(N)nc([nH]c1=O)N)O
InChi: 1S/C20H25N5O7/c21-16-12(18(30)25-20(22)24-16)2-1-3-14(26)10-4-6-11(7-5-10)17(29)23-13(19(31)32)8-9-15(27)28/h4-7,13-14,26H,1-3,8-9H2,(H,23,29)(H,27,28)(H,31,32)(H5,21,22,24,25,30)/t13-,14-/m0/s1
InChiKey: OGTRQJJZWHQCBC-KBPBESRZSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	phosphoribosylglycinamide formyltransferase, phosphoribosylglycinamide synthetase, phosphoribosylaminoimidazole synthetase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Onchocerca volvulus		Get druggable targets OG5_126894	All targets in OG5_126894
Mycobacterium tuberculosis	Probable phosphoribosylamine--glycine ligase PurD (GARS) (glycinamide ribonucleotide synthetase) (phosphoribosylglycinamide synt	Get druggable targets OG5_126894	All targets in OG5_126894
Mycobacterium leprae	PROBABLE PHOSPHORIBOSYLAMINE--GLYCINE LIGASE PURD (GARS) (GLYCINAMIDE RIBONUCLEOTIDE SYNTHETASE) (PHOSPHORIBOSYLGLYCINAMIDE SYNT	Get druggable targets OG5_126894	All targets in OG5_126894
Mycobacterium ulcerans	phosphoribosylaminoimidazole synthetase	Get druggable targets OG5_126894	All targets in OG5_126894
Candida albicans	purine biosynthesis	Get druggable targets OG5_126894	All targets in OG5_126894
Candida albicans	N terminus of ADE5,7 bifunctional ligase	Get druggable targets OG5_126894	All targets in OG5_126894
Candida albicans	ADE5,7 bifunctional ligase	Get druggable targets OG5_126894	All targets in OG5_126894
Wolbachia endosymbiont of Brugia malayi	phosphoribosylamine--glycine ligase	Get druggable targets OG5_126894	All targets in OG5_126894
Mycobacterium tuberculosis	Probable phosphoribosylformylglycinamidine CYCLO-ligase PurM (AIRS) (phosphoribosyl-aminoimidazole synthetase) (air synthase)	Get druggable targets OG5_126894	All targets in OG5_126894
Onchocerca volvulus		Get druggable targets OG5_126894	All targets in OG5_126894
Mycobacterium leprae	PROBABLE PHOSPHORIBOSYLFORMYLGLYCINAMIDINE CYCLO-LIGASE PURM (AIRS) (PHOSPHORIBOSYL-AMINOIMIDAZOLE SYNTHETASE) (AIR SYNTHASE)	Get druggable targets OG5_126894	All targets in OG5_126894
Mycobacterium ulcerans	phosphoribosylamine--glycine ligase	Get druggable targets OG5_126894	All targets in OG5_126894
Wolbachia endosymbiont of Brugia malayi	phosphoribosylaminoimidazole synthetase	Get druggable targets OG5_126894	All targets in OG5_126894

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	0.003	0.003	0.003
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0126	0.0126
Loa Loa (eye worm)	hypothetical protein	0.003	0.003	0.003
Echinococcus granulosus	potassium voltage gated channel subfamily D	0.0066	0.0261	0.0261
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0066	0.0261	0.0261
Brugia malayi	Voltage-gated potassium channel, Shaker-family (KCNA, Kv1-like) alpha-subunit	0.0066	0.0261	0.0261
Echinococcus granulosus	potassium voltage gated channel protein	0.0066	0.0261	0.0261
Echinococcus multilocularis	voltage gated potassium channel	0.0066	0.0261	0.0261
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0034	0.0053	0.0053
Entamoeba histolytica	hypothetical protein	0.0036	0.0063	0.0328
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0326	0.1933	0.1933
Echinococcus granulosus	shaker cognate	0.0066	0.0261	0.0261
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0064	0.0249	0.0249
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0066	0.0261	0.0773
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0238	0.0209
Brugia malayi	Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit	0.0066	0.0261	0.0261
Echinococcus granulosus	transcription factor Dp 1	0.0188	0.1049	0.1049
Echinococcus multilocularis	potassium voltage gated channel subfamily D	0.0066	0.0261	0.0261
Brugia malayi	TAR-binding protein	0.0063	0.0238	0.0238
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0064	0.0249	0.0249
Schistosoma mansoni	vesicular amine transporter	0.0066	0.0261	0.0232
Echinococcus granulosus	sodium leak channel non selective protein	0.0066	0.0261	0.0261
Brugia malayi	Ryanodine Receptor TM 4-6 family protein	0.0066	0.0261	0.0261
Echinococcus granulosus	tar DNA binding protein	0.0063	0.0238	0.0238
Brugia malayi	Nuclear hormone receptor-like 1	0.0034	0.0053	0.0053
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.003	0.003	0.003
Toxoplasma gondii	hypothetical protein	0.0066	0.0261	0.0773
Schistosoma mansoni	voltage-gated potassium channel	0.0066	0.0261	0.0232
Schistosoma mansoni	voltage-gated potassium channel	0.0066	0.0261	0.0232
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0261	0.0261
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0066	0.0261	0.0261
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0249	0.0249
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.003	0.003	0.003
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0261	0.0261
Echinococcus multilocularis	short transient receptor potential channel 6	0.0066	0.0261	0.0261
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0064	0.0249	0.022
Brugia malayi	ImpB/MucB/SamB family protein	0.0044	0.012	0.012
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0064	0.0249	0.0249
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0261	0.0261
Echinococcus granulosus	voltage gated hydrogen channel 1	0.0066	0.0261	0.0261
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0064	0.0249	0.0249
Schistosoma mansoni	DNA polymerase eta	0.0044	0.012	0.009
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0063	0.0063
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0064	0.0249	0.0249
Schistosoma mansoni	retinoic acid receptor RXR	0.0748	0.4656	0.464
Echinococcus multilocularis	ryanodine receptor 44f	0.0066	0.0261	0.0261
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0064	0.0249	0.0249
Loa Loa (eye worm)	hypothetical protein	0.003	0.003	0.003
Mycobacterium ulcerans	phosphoribosylamine--glycine ligase	0.018	0.0993	1
Echinococcus multilocularis	cyclic nucleotide gated cation channel	0.0066	0.0261	0.0261
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0249	0.0249
Brugia malayi	ecdysteroid receptor	0.0064	0.0249	0.0249
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0261	0.0261
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0261	0.0261
Brugia malayi	hypothetical protein	0.0034	0.0053	0.0053
Schistosoma mansoni	60S ribosomal protein L21	0.0066	0.0261	0.0232
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0064	0.0249	0.0249
Entamoeba histolytica	hypothetical protein	0.0036	0.0063	0.0328
Brugia malayi	nuclear receptor NHR-88	0.003	0.003	0.003
Echinococcus multilocularis	potassium voltage gated channel subfamily D	0.0066	0.0261	0.0261
Schistosoma mansoni	high voltage-activated calcium channel Cav1	0.1577	1	1
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0714	0.4436	0.4436
Echinococcus multilocularis	potassium voltage gated channel subfamily KQT	0.0066	0.0261	0.0261
Mycobacterium leprae	PROBABLE PHOSPHORIBOSYLAMINE--GLYCINE LIGASE PURD (GARS) (GLYCINAMIDE RIBONUCLEOTIDE SYNTHETASE) (PHOSPHORIBOSYLGLYCINAMIDE SYNT	0.018	0.0993	1
Schistosoma mansoni	high voltage-activated calcium channel Cav2A	0.1577	1	1
Trypanosoma cruzi	inositol 1,4,5-trisphosphate receptor, putative	0.0066	0.0261	0.0773
Schistosoma mansoni	voltage-gated potassium channel	0.0066	0.0261	0.0232
Echinococcus multilocularis	sodium leak channel non selective protein	0.0066	0.0261	0.0261
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0066	0.0261	0.0261
Schistosoma mansoni	voltage-gated potassium channel	0.0066	0.0261	0.0232
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0064	0.0249	0.0249
Echinococcus multilocularis	transient receptor potential gamma protein	0.0066	0.0261	0.0261
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0064	0.0249	0.0249
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0064	0.0249	0.0249
Trypanosoma cruzi	DNA polymerase eta, putative	0.0044	0.012	0.0354
Onchocerca volvulus		0.0064	0.0249	0.9504
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0326	0.1933	0.1933
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0053	0.0053
Onchocerca volvulus	Transient receptor potential cation channel trpm homolog	0.0066	0.0261	1
Echinococcus multilocularis	transient receptor potential cation channel	0.0066	0.0261	0.0261
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0261	0.0261
Echinococcus multilocularis	voltage gated potassium channel	0.0066	0.0261	0.0261
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0126	0.0126
Brugia malayi	hypothetical protein	0.0034	0.0053	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0483	0.2948	0.2948
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0066	0.0261	0.0232
Echinococcus granulosus	hypothetical protein	0.0066	0.0261	0.0261
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0053	0.0053
Onchocerca volvulus	Bile acid receptor homolog	0.0064	0.0249	0.9504
Loa Loa (eye worm)	hypothetical protein	0.003	0.003	0.003
Echinococcus multilocularis	potassium voltage gated channel subfamily A	0.0066	0.0261	0.0261
Echinococcus granulosus	ryanodine receptor 44f	0.0066	0.0261	0.0261
Brugia malayi	voltage-dependent calcium channel	0.0066	0.0261	0.0261
Entamoeba histolytica	hypothetical protein	0.0036	0.0063	0.0328
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0064	0.0249	0.0249
Echinococcus granulosus	potassium voltage gated channel subfamily D	0.0066	0.0261	0.0261
Schistosoma mansoni	voltage-gated potassium channel	0.0066	0.0261	0.0232
Schistosoma mansoni	nuclear hormone receptor	0.0064	0.0249	0.022
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0066	0.0261	0.0232
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0066	0.0261	0.0261
Leishmania major	calcium channel protein, putative,ion transporter, putative	0.0066	0.0261	0.135
Echinococcus granulosus	transient receptor potential cation channel	0.0066	0.0261	0.0261
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0063	0.0238	0.0238
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0066	0.0261	0.0261
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0261	0.0261
Echinococcus granulosus	Potassium voltage gated channel protein Shaw	0.0066	0.0261	0.0261
Schistosoma mansoni	voltage-gated potassium channel	0.0066	0.0261	0.0232
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0066	0.0261	1
Brugia malayi	nuclear hormone receptor family member nhr-6	0.003	0.003	0.003
Echinococcus granulosus	ecdysone induced protein 78C	0.0064	0.0249	0.0249
Echinococcus granulosus	transient receptor potential cation channel	0.0066	0.0261	0.0261
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0034	0.0053	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0261	0.0261
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0249	0.0249
Echinococcus multilocularis	potassium voltage gated channel subfamily D	0.0066	0.0261	0.0261
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0238	0.0209
Echinococcus granulosus	transient receptor potential gamma protein	0.0066	0.0261	0.0261
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0063	0.0034
Echinococcus granulosus	voltage dependent calcium channel type d subunit\|voltage dependent calcium channel\|voltage dependent L type calcium channel subu	0.1577	1	1
Echinococcus multilocularis	potassium voltage gated channel subfamily C	0.0066	0.0261	0.0261
Echinococcus multilocularis	transfer RNA-Gly	0.0066	0.0261	0.0261
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0126	0.0126
Echinococcus multilocularis	transient receptor potential cation channel	0.0066	0.0261	0.0261
Echinococcus multilocularis	potassium voltage gated channel protein	0.0066	0.0261	0.0261
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0064	0.0249	0.022
Brugia malayi	Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit. C. elegans egl-36 ortholog	0.0066	0.0261	0.0261
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0064	0.0249	0.0249
Giardia lamblia	Flap structure-specific endonuclease	0.0026	0	0.5
Schistosoma mansoni	thyroid hormone receptor	0.0064	0.0249	0.022
Echinococcus multilocularis	ecdysone induced protein 78C	0.0064	0.0249	0.0249
Brugia malayi	cation channel family protein	0.0066	0.0261	0.0261
Loa Loa (eye worm)	hypothetical protein	0.003	0.003	0.003
Echinococcus granulosus	potassium voltage gated channel subfamily A	0.0066	0.0261	0.0261
Schistosoma mansoni	transient receptor potential channel 4	0.0066	0.0261	0.0232
Toxoplasma gondii	transporter, cation channel family protein	0.0066	0.0261	0.0773
Schistosoma mansoni	voltage-gated potassium channel	0.0066	0.0261	0.0232
Echinococcus granulosus	geminin	0.0168	0.0915	0.0915
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0053	0.0053
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0034	0.0053	0.0053
Echinococcus multilocularis	voltage dependent calcium channel type d subunit	0.1577	1	1
Echinococcus multilocularis	geminin	0.0168	0.0915	0.0915
Echinococcus granulosus	Nuclear hormone receptor HR96	0.003	0.003	0.003
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0064	0.0249	0.022
Brugia malayi	Nuclear hormone receptor-like 1	0.0064	0.0249	0.0249
Echinococcus multilocularis	sodium channel protein	0.0066	0.0261	0.0261
Echinococcus granulosus	voltage dependent calcium channel	0.1577	1	1
Plasmodium falciparum	flap endonuclease 1	0.0026	0	0.5
Echinococcus granulosus	transient receptor potential cation channel	0.0066	0.0261	0.0261
Trypanosoma cruzi	Voltage-dependent calcium channel subunit, putative	0.0549	0.3375	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0064	0.0249	0.022
Echinococcus granulosus	transient receptor potential cation channel	0.0066	0.0261	0.0261
Loa Loa (eye worm)	voltage-gated potassium channel	0.0066	0.0261	0.0261
Echinococcus granulosus	thyroid hormone receptor alpha	0.003	0.003	0.003
Brugia malayi	nuclear receptor NHR-88	0.0064	0.0249	0.0249
Brugia malayi	nuclear hormone receptor	0.0064	0.0249	0.0249
Echinococcus multilocularis	transcription factor Dp 1	0.0188	0.1049	0.1049
Schistosoma mansoni	transient receptor potential channel	0.0066	0.0261	0.0232
Brugia malayi	RNA binding protein	0.0063	0.0238	0.0238
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0063	0.0063
Toxoplasma gondii	hypothetical protein	0.0066	0.0261	0.0773
Loa Loa (eye worm)	hypothetical protein	0.003	0.003	0.003
Loa Loa (eye worm)	hypothetical protein	0.0549	0.3375	0.3375
Echinococcus multilocularis	dna polymerase eta	0.0044	0.012	0.012
Loa Loa (eye worm)	nuclear receptor NHR-67	0.003	0.003	0.003
Schistosoma mansoni	voltage-gated potassium channel	0.0066	0.0261	0.0232
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0064	0.0249	0.0249
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0064	0.0249	0.0249
Loa Loa (eye worm)	hypothetical protein	0.003	0.003	0.003
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0064	0.0249	0.0249
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0066	0.0261	0.0261
Brugia malayi	Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog	0.0066	0.0261	0.0261
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0126	0.0096
Loa Loa (eye worm)	DR-78	0.003	0.003	0.003
Brugia malayi	nuclear hormone receptor	0.003	0.003	0.003
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0066	0.0261	0.0232
Brugia malayi	nuclear receptor NHR-67	0.003	0.003	0.003
Loa Loa (eye worm)	voltage-gated potassium channel	0.0066	0.0261	0.0261
Brugia malayi	cation channel family protein	0.0066	0.0261	0.0261
Schistosoma mansoni	calcium channel voltage-dependent p/q type alpha 1a-related	0.0066	0.0261	0.0232
Echinococcus multilocularis	transient receptor potential cation channel	0.0066	0.0261	0.0261
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0064	0.0249	0.0249
Brugia malayi	hypothetical protein	0.0036	0.0063	0.0063
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0261	0.0261
Schistosoma mansoni	transient receptor potential cation channel subfamily m member	0.0066	0.0261	0.0232
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0034	0.0053	0.0024
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0748	0.4656	0.4656
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0053	0.0053
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0034	0.0053	0.0024
Loa Loa (eye worm)	hypothetical protein	0.003	0.003	0.003
Echinococcus granulosus	voltage gated sodium channel Nav1 alpha subunit	0.0066	0.0261	0.0261
Schistosoma mansoni	voltage-gated potassium channel	0.0066	0.0261	0.0232
Schistosoma mansoni	ryanodine receptor related	0.0066	0.0261	0.0232
Echinococcus multilocularis	voltage dependent L type calcium channel subunit	0.1577	1	1
Echinococcus multilocularis	transient receptor potential cation channel	0.0066	0.0261	0.0261
Echinococcus multilocularis	potassium large conductance calcium activated	0.0066	0.0261	0.0261
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0064	0.0249	0.0249
Onchocerca volvulus	Protein ultraspiracle homolog	0.0064	0.0249	0.9504
Loa Loa (eye worm)	voltage-gated calcium channel	0.0066	0.0261	0.0261
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0238	0.0209
Echinococcus multilocularis	two pore calcium channel protein 1	0.0066	0.0261	0.0261
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0064	0.0249	0.022
Echinococcus granulosus	potassium voltage gated channel protein	0.0066	0.0261	0.0261
Toxoplasma gondii	transporter, cation channel family protein	0.0549	0.3375	1
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0238	0.0209
Loa Loa (eye worm)	steroid hormone receptor	0.0064	0.0249	0.0249
Schistosoma mansoni	voltage-gated ion channel	0.0066	0.0261	0.0232
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0126	0.0126
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0249	0.0249
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0261	0.0261
Schistosoma mansoni	calcium-activated potassium channel	0.0066	0.0261	0.0232
Echinococcus multilocularis	voltage dependent calcium channel type d subunit	0.1577	1	1
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0031	0.0035	0.0103
Brugia malayi	hypothetical protein	0.003	0.003	0.003
Loa Loa (eye worm)	nuclear hormone receptor	0.003	0.003	0.003
Loa Loa (eye worm)	hypothetical protein	0.003	0.003	0.003
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0064	0.0249	0.0249
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0261	0.0261
Loa Loa (eye worm)	voltage-dependent calcium channel	0.0549	0.3375	0.3375
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0261	0.0261
Echinococcus granulosus	short transient receptor potential channel 6	0.0066	0.0261	0.0261
Echinococcus granulosus	potassium channel KvQLT family member kqt 1	0.0066	0.0261	0.0261
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0326	0.1933	0.5727
Schistosoma mansoni	RAR-like nuclear receptor	0.0064	0.0249	0.022
Leishmania major	DNA polymerase eta, putative	0.0044	0.012	0.0619
Echinococcus multilocularis	potassium voltage gated channel protein	0.0066	0.0261	0.0261
Schistosoma mansoni	transient receptor potential cation channel subfamily m member	0.0066	0.0261	0.0232
Brugia malayi	ion channel NompC	0.0066	0.0261	0.0261
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0064	0.0249	0.0249
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0261	0.0261
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0064	0.0249	0.9504
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0249	0.0249
Schistosoma mansoni	voltage-gated potassium channel	0.0066	0.0261	0.0232
Onchocerca volvulus		0.0032	0.0038	0.0333
Brugia malayi	ecdysone receptor	0.003	0.003	0.003
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0066	0.0261	0.0232
Echinococcus granulosus	potassium large conductance calcium activated	0.0066	0.0261	0.0261
Echinococcus multilocularis	conserved hypothetical protein	0.0066	0.0261	0.0261
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.003	0.003	0.003
Toxoplasma gondii	hypothetical protein	0.0483	0.2948	0.8734
Brugia malayi	Large-conductance calcium-activated potassium channel Slo-1 (KCNMA) alpha subunit. C. elegans slo-1 ortholog	0.0066	0.0261	0.0261
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0064	0.0249	0.0249
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0064	0.0249	0.0249
Echinococcus multilocularis	calcium activated potassium channel	0.0066	0.0261	0.0261
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0064	0.0249	0.0249
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0326	0.1933	1
Onchocerca volvulus	Transient receptor potential cation channel trpm homolog	0.0066	0.0261	1
Echinococcus granulosus	potassium:sodium hyperpolarization activated	0.0066	0.0261	0.0261
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0066	0.0261	0.0261
Echinococcus multilocularis	transient receptor potential cation channel	0.0066	0.0261	0.0261
Brugia malayi	Steroid receptor seven-up type 2	0.0064	0.0249	0.0249
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.003	0.003	0.003
Trypanosoma brucei	inositol 1,4,5-trisphosphate receptor	0.0066	0.0261	0.0773
Schistosoma mansoni	voltage-gated potassium channel	0.0066	0.0261	0.0232
Schistosoma mansoni	voltage-gated potassium channel KCNQ	0.0066	0.0261	0.0232
Leishmania major	hypothetical protein, unknown function	0.0066	0.0261	0.135
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0053	0.0053
Brugia malayi	hypothetical protein	0.0066	0.0261	0.0261
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0126	0.0096
Schistosoma mansoni	voltage-gated cation channel	0.1577	1	1
Onchocerca volvulus		0.0066	0.0261	1
Echinococcus granulosus	transient receptor potential cation channel	0.0066	0.0261	0.0261
Loa Loa (eye worm)	hypothetical protein	0.003	0.003	0.003
Echinococcus granulosus	sodium channel protein	0.0066	0.0261	0.0261
Echinococcus granulosus	dna polymerase eta	0.0044	0.012	0.012
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0261	0.0261
Echinococcus granulosus	FTZ F1 alpha	0.0064	0.0249	0.0249
Entamoeba histolytica	hypothetical protein	0.0036	0.0063	0.0328
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0326	0.1933	0.1909
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0261	0.0261
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0326	0.1933	0.5727
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0066	0.0261	0.0232
Echinococcus granulosus	potassium voltage gated channel subfamily D	0.0066	0.0261	0.0261
Brugia malayi	orphan nuclear receptor NR2E1	0.003	0.003	0.003
Schistosoma mansoni	voltage-gated potassium channel	0.0066	0.0261	0.0232
Onchocerca volvulus		0.004	0.009	0.2584
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0326	0.1933	0.1933
Brugia malayi	photoreceptor-specific nuclear receptor	0.0064	0.0249	0.0249
Echinococcus granulosus	two pore calcium channel protein 2	0.0066	0.0261	0.0261
Echinococcus granulosus	hyperpolarization activated cyclic	0.0066	0.0261	0.0261
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0064	0.0249	0.0249
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0261	0.0261
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0064	0.0249	0.0249
Schistosoma mansoni	voltage-dependent calcium channel	0.0066	0.0261	0.0232
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0066	0.0261	0.0232
Schistosoma mansoni	voltage-gated potassium channel	0.0066	0.0261	0.0232
Schistosoma mansoni	thyroid hormone receptor	0.0064	0.0249	0.022
Echinococcus granulosus	TRP transient receptor potential channel	0.0066	0.0261	0.0261
Echinococcus granulosus	potassium voltage gated channel protein	0.0066	0.0261	0.0261
Echinococcus granulosus	transient receptor potential cation channel	0.0066	0.0261	0.0261
Echinococcus multilocularis	tar DNA binding protein	0.0063	0.0238	0.0238
Brugia malayi	Cyclic-nucleotide gated cation channel	0.0066	0.0261	0.0261
Echinococcus multilocularis	short transient receptor potential channel 6	0.0066	0.0261	0.0261
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0064	0.0249	0.0249
Brugia malayi	Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit	0.0066	0.0261	0.0261
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0261	0.0261
Schistosoma mansoni	voltage-gated potassium channel	0.0066	0.0261	0.0232
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0326	0.1933	0.1933
Echinococcus multilocularis	voltage dependent L type calcium channel subunit	0.1577	1	1
Trypanosoma brucei	Voltage-dependent calcium channel subunit, putative	0.0549	0.3375	1
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0066	0.0261	0.0261
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0066	0.0261	0.0773
Brugia malayi	hypothetical protein	0.003	0.003	0.003
Schistosoma mansoni	voltage-gated potassium channel	0.0066	0.0261	0.0232
Echinococcus multilocularis	voltage dependent calcium channel	0.1577	1	1
Brugia malayi	Voltage-gated calcium channel, alpha subunit	0.0066	0.0261	0.0261
Echinococcus multilocularis	potassium:sodium hyperpolarization activated	0.0066	0.0261	0.0261
Brugia malayi	Transient-receptor-potential like protein	0.0066	0.0261	0.0261
Echinococcus granulosus	hyperpolarization activated cyclic	0.0066	0.0261	0.0261
Schistosoma mansoni	transient receptor potential cation channel subfamily m member	0.0066	0.0261	0.0232
Loa Loa (eye worm)	calcium channel	0.1577	1	1
Loa Loa (eye worm)	TAR-binding protein	0.0063	0.0238	0.0238
Brugia malayi	Voltage-gated potassium channel, KCNQ (Kv7-like) alpha-subunit. C. elegans kqt-1 ortholog	0.0066	0.0261	0.0261
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0238	0.0209
Brugia malayi	tailless protein	0.003	0.003	0.003
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0064	0.0249	0.0249
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0066	0.0261	0.0261
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0326	0.1933	0.5727
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.003	0.003	0.003
Toxoplasma gondii	transporter, cation channel family protein	0.0066	0.0261	0.0773
Wolbachia endosymbiont of Brugia malayi	phosphoribosylamine--glycine ligase	0.018	0.0993	1
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0066	0.0261	0.0261
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0249	0.0249
Leishmania major	DNA polymerase eta, putative	0.0031	0.0035	0.0179
Schistosoma mansoni	transient receptor potential channel	0.0066	0.0261	0.0232
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0064	0.0249	0.0249
Brugia malayi	Voltage-gated potassium channel, Shab-family (KCNB, Kv2-like) alpha-subunit	0.0066	0.0261	0.0261
Echinococcus multilocularis	nuclear receptor nhr 48	0.003	0.003	0.003
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0126	0.0126
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0261	0.0261
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0066	0.0261	1
Brugia malayi	Voltage-gated calcium channel, P/Q-type, alpha subunit. C. elegans unc-2 ortholog	0.0066	0.0261	0.0261
Echinococcus granulosus	Nuclear hormone receptor HR96	0.003	0.003	0.003
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0066	0.0261	0.0232
Leishmania major	hypothetical protein, conserved	0.0066	0.0261	0.135
Loa Loa (eye worm)	RNA binding protein	0.0063	0.0238	0.0238
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0066	0.0261	0.0261
Echinococcus multilocularis	two pore calcium channel protein 2	0.0066	0.0261	0.0261
Loa Loa (eye worm)	hypothetical protein	0.003	0.003	0.003
Echinococcus multilocularis	cyclic nucleotide gated cation channel alpha 3	0.0066	0.0261	0.0261
Schistosoma mansoni	coup transcription factor	0.0064	0.0249	0.022
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0064	0.0249	0.0249
Brugia malayi	nuclear receptor RXR	0.003	0.003	0.003
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0064	0.0249	0.022
Brugia malayi	RNA recognition motif domain containing protein	0.0063	0.0238	0.0238
Loa Loa (eye worm)	ryanodine receptor	0.0066	0.0261	0.0261
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0126	0.0096
Brugia malayi	nuclear receptor RXR	0.0034	0.0053	0.0053
Echinococcus granulosus	nuclear receptor nhr 48	0.003	0.003	0.003
Echinococcus granulosus	calcium activated potassium channel	0.0066	0.0261	0.0261
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0326	0.1933	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0064	0.0249	0.0249
Echinococcus granulosus	potassium voltage gated channel subfamily C	0.0066	0.0261	0.0261
Echinococcus multilocularis	FTZ F1 alpha	0.0064	0.0249	0.0249
Loa Loa (eye worm)	hypothetical protein	0.003	0.003	0.003
Schistosoma mansoni	hypothetical protein	0.0168	0.0915	0.0888
Echinococcus granulosus	short transient receptor potential channel 6	0.0066	0.0261	0.0261
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0064	0.0249	0.0249
Schistosoma mansoni	voltage-gated potassium channel	0.0066	0.0261	0.0232
Loa Loa (eye worm)	ion channel NompC	0.0066	0.0261	0.0261
Echinococcus granulosus	voltage dependent L type calcium channel subunit\|voltage dependent calcium channel	0.1577	1	1
Schistosoma mansoni	hypothetical protein	0.0066	0.0261	0.0232
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0249	0.0249
Echinococcus granulosus	voltage gated potassium channel	0.0066	0.0261	0.0261
Loa Loa (eye worm)	hypothetical protein	0.003	0.003	0.003
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.003	0.003	0.003
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.003	0.003	0.003
Echinococcus multilocularis	voltage gated hydrogen channel 1	0.0066	0.0261	0.0261
Schistosoma mansoni	inositol 145-trisphosphate receptor	0.0066	0.0261	0.0232
Trypanosoma brucei	DNA polymerase eta, putative	0.0044	0.012	0.0354
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0249	0.0249
Echinococcus multilocularis	transient receptor potential cation channel	0.0066	0.0261	0.0261
Schistosoma mansoni	two-pore calcium channel	0.0066	0.0261	0.0232
Echinococcus multilocularis	voltage dependent calcium channel	0.1577	1	1
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.003	0.003	0.003
Echinococcus granulosus	potassium voltage gated channel protein	0.0066	0.0261	0.0261
Schistosoma mansoni	transient receptor potential cation channel subfamily m member	0.0066	0.0261	0.0232
Plasmodium vivax	flap endonuclease 1, putative	0.0026	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0483	0.2948	0.2948
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0064	0.0249	0.0249
Schistosoma mansoni	hypothetical protein	0.0036	0.0063	0.0034
Loa Loa (eye worm)	hypothetical protein	0.0044	0.012	0.012
Echinococcus multilocularis	potassium voltage gated channel protein	0.0066	0.0261	0.0261
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0064	0.0249	0.0249
Mycobacterium tuberculosis	Probable phosphoribosylformylglycinamidine CYCLO-ligase PurM (AIRS) (phosphoribosyl-aminoimidazole synthetase) (air synthase)	0.004	0.009	1
Schistosoma mansoni	hypothetical protein	0.0168	0.0915	0.0888
Echinococcus granulosus	two pore calcium channel protein 1	0.0066	0.0261	0.0261
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0066	0.0261	0.0261
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0261	0.0261
Schistosoma mansoni	voltage-gated potassium channel	0.0066	0.0261	0.0232
Brugia malayi	Nuclear hormone receptor-like 1	0.0034	0.0053	0.0053
Echinococcus multilocularis	TRP (transient receptor potential) channel	0.0066	0.0261	0.0261
Echinococcus granulosus	voltage gated potassium channel	0.0066	0.0261	0.0261
Echinococcus granulosus	voltage dependent calcium channel type d subunit\|voltage dependent calcium channel alpha 1	0.1577	1	1
Echinococcus granulosus	potassium voltage gated channel protein	0.0066	0.0261	0.0261
Trypanosoma cruzi	DNA polymerase eta, putative	0.0031	0.0035	0.0103
Echinococcus multilocularis	shaker cognate	0.0066	0.0261	0.0261
Schistosoma mansoni	voltage-gated potassium channel	0.0066	0.0261	0.0232
Brugia malayi	nuclear hormone receptor family member odr-7	0.003	0.003	0.003
Brugia malayi	Nuclear hormone receptor E75	0.003	0.003	0.003
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0066	0.0261	0.0261
Brugia malayi	steroid hormone receptor	0.0064	0.0249	0.0249
Brugia malayi	conserved hypotetical protein	0.003	0.003	0.003
Echinococcus multilocularis	potassium voltage gated channel protein	0.0066	0.0261	0.0261
Schistosoma mansoni	transient receptor potential channel	0.0066	0.0261	0.0232
Echinococcus granulosus	voltage dependent calcium channel	0.0549	0.3375	0.3375
Loa Loa (eye worm)	hypothetical protein	0.1577	1	1
Brugia malayi	Nuclear hormone receptor E75	0.003	0.003	0.003
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0064	0.0249	0.0249
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0261	0.0261
Echinococcus granulosus	cyclic nucleotide gated cation channel alpha 3	0.0066	0.0261	0.0261
Brugia malayi	olfactory channel protein osm-9	0.0066	0.0261	0.0261
Brugia malayi	Voltage-gated potassium channel, Shab-family (KCNB, Kv2-like) alpha-subunit. C. elegans exp-2 ortholog	0.0066	0.0261	0.0261
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0064	0.0249	0.022
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0126	0.0126
Schistosoma mansoni	transient receptor potential cation channel subfamily m member	0.0066	0.0261	0.0232

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 0.5 uM	Cytotoxicity against human CCRF-CEM cells in absence of thymidine and hypoxanthine	ChEMBL.	18686942
IC50 (functional)	= 0.6 uM	Cytotoxicity against human CCRF-CEM cells in presence of thymidine and absence of hypoxanthine	ChEMBL.	18686942
IC50 (functional)	= 0.6 uM	Cytotoxicity against human CCRF-CEM cells expressing reduced folate carrier in absence of thymidine and hypoxanthine	ChEMBL.	18686942
IC50 (functional)	> 10 uM	Cytotoxicity against human CCRF-CEM cells in absence of thymidine and presence of hypoxanthine	ChEMBL.	18686942
IC50 (functional)	> 10 uM	Cytotoxicity against folyl-poly-glutamate synthetase-deficient human CCRF-CEM cells in absence of thymidine and hypoxanthine	ChEMBL.	18686942
Ki (binding)	= 1.4 uM	Inhibition of human recombinant GAR transformylase	ChEMBL.	18686942
Ki (binding)	> 100 uM	Inhibition of human recombinant AICAR transformylase	ChEMBL.	18686942

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	18686942

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: CHEMBL453348

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 956469