TDR Targets

Basic information

Technical information

TDR Targets ID: 1537904
Name: N-[(4-methoxyphenyl)methyl]-3-[3-(phenylmethy l)imidazo[5,4-b]pyridin-2-yl]propanamide
MW: 400.473 | Formula: C24H24N4O2
H donors: 1 H acceptors: 3 LogP: 3.31 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)CNC(=O)CCc1nc2c(n1Cc1ccccc1)nccc2
InChi: 1S/C24H24N4O2/c1-30-20-11-9-18(10-12-20)16-26-23(29)14-13-22-27-21-8-5-15-25-24(21)28(22)17-19-6-3-2-4-7-19/h2-12,15H,13-14,16-17H2,1H3,(H,26,29)
InChiKey: SQYYXVIQNDWNPU-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

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

TDR Pathogens:

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

Other Pathogens:

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

Compound Layer

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Clustering layers

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Synonyms

N-[(4-methoxyphenyl)methyl]-3-[3-(phenylmethyl)-2-imidazo[5,4-b]pyridinyl]propanamide
3-[3-(benzyl)imidazo[5,4-b]pyridin-2-yl]-N-(4-methoxybenzyl)propionamide
C614-0976
NCGC00110785-01

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	ectonucleotide pyrophosphatase/phosphodiesterase 2		References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127260	All targets in OG5_127260
Schistosoma japonicum	ko:K01175 ENPP5, LOC481824; ectonucleotide pyrophosphatase/phosphodiesterase 5 (putative function) [EC:3.1.-.-], putative	Get druggable targets OG5_127260	All targets in OG5_127260
Echinococcus multilocularis	ectonucleotide	Get druggable targets OG5_127260	All targets in OG5_127260
Onchocerca volvulus		Get druggable targets OG5_127260	All targets in OG5_127260
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	Get druggable targets OG5_127260	All targets in OG5_127260
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	Get druggable targets OG5_127260	All targets in OG5_127260
Schistosoma japonicum	Ectonucleotide pyrophosphatase/phosphodiesterase family member 5 precursor, putative	Get druggable targets OG5_127260	All targets in OG5_127260
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	Get druggable targets OG5_127260	All targets in OG5_127260
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	Get druggable targets OG5_127260	All targets in OG5_127260
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127260	All targets in OG5_127260
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127260	All targets in OG5_127260
Schistosoma japonicum	Ectonucleotide pyrophosphatase/phosphodiesterase family member 5 precursor, putative	Get druggable targets OG5_127260	All targets in OG5_127260
Onchocerca volvulus		Get druggable targets OG5_127260	All targets in OG5_127260
Candida albicans	similar to human plasma membrane glycoprotein PCI	Get druggable targets OG5_127260	All targets in OG5_127260
Brugia malayi	Type I phosphodiesterase / nucleotide pyrophosphatase family protein	Get druggable targets OG5_127260	All targets in OG5_127260
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	Get druggable targets OG5_127260	All targets in OG5_127260
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	Get druggable targets OG5_127260	All targets in OG5_127260
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	Get druggable targets OG5_127260	All targets in OG5_127260
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	Get druggable targets OG5_127260	All targets in OG5_127260
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	Get druggable targets OG5_127260	All targets in OG5_127260
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127260	All targets in OG5_127260
Candida albicans	similar to human plasma membrane glycoprotein PCI	Get druggable targets OG5_127260	All targets in OG5_127260
Echinococcus granulosus	ectonucleotide	Get druggable targets OG5_127260	All targets in OG5_127260
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	Get druggable targets OG5_127260	All targets in OG5_127260
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	Get druggable targets OG5_127260	All targets in OG5_127260
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	Get druggable targets OG5_127260	All targets in OG5_127260
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	Get druggable targets OG5_127260	All targets in OG5_127260
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	Get druggable targets OG5_127260	All targets in OG5_127260
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	Get druggable targets OG5_127260	All targets in OG5_127260
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	Get druggable targets OG5_127260	All targets in OG5_127260
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	Get druggable targets OG5_127260	All targets in OG5_127260

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	0.0035	0.064	0.064
Schistosoma mansoni	endonuclease related	0.0024	0.0261	0.0076
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0952	0.078
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0036	0.0693	0.0516
Mycobacterium ulcerans	hypothetical protein	0.0043	0.0952	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0187	0.0187
Loa Loa (eye worm)	beta-lactamase	0.0043	0.0952	0.0952
Loa Loa (eye worm)	hypothetical protein	0.0058	0.1486	0.1486
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0034	0.0614	0.0436
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.064	0.0462
Mycobacterium ulcerans	beta-lactamase	0.0043	0.0952	1
Echinococcus granulosus	tar DNA binding protein	0.0062	0.1624	0.1511
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0187	0.0187
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0952	0.03
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0109	0.3329	0.8438
Loa Loa (eye worm)	jmjC domain-containing protein	0.007	0.1915	0.1915
Loa Loa (eye worm)	hypothetical protein	0.004	0.0844	0.0844
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0243	0.8133	0.8133
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0187	0.0187
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.004	0.0844	0.067
Trypanosoma cruzi	cytochrome P450, putative	0.0027	0.0372	0.1293
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0111	0.3399	0.3273
Echinococcus multilocularis	ectonucleotide	0.0034	0.0614	0.0436
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0109	0.3329	0.2814
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.1624	0.1465
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0022	0.0187	0.0187
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0036	0.0693	0.5061
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0036	0.0693	0.0532
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0952	0.03
Trypanosoma brucei	cytochrome P450, putative	0.0027	0.0372	0.1293
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0187	0.0187
Loa Loa (eye worm)	PHD-finger family protein	0.0034	0.061	0.061
Onchocerca volvulus		0.004	0.0844	0.0718
Echinococcus multilocularis	peregrin	0.0041	0.087	0.0697
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0034	0.061	0.0432
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0036	0.0693	0.0516
Plasmodium falciparum	glutathione reductase	0.0048	0.1114	0.3079
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0187	0.0187
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0187	0.0187
Leishmania major	trypanothione reductase	0.0048	0.1114	1
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0109	0.3329	0.2814
Giardia lamblia	Histone acetyltransferase GCN5	0.0079	0.2246	1
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0036	0.0693	0.0516
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0294	1	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0187	0.0187
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0109	0.3329	0.2814
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0187	0.0187
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0187	0.0187
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.0952	0.0805
Echinococcus multilocularis	jumonji domain containing protein	0.0047	0.109	0.0921
Onchocerca volvulus		0.0043	0.0952	0.0836
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0087	0.2507	0.2097
Brugia malayi	Thioredoxin reductase	0.0048	0.1114	0.0945
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.058	0.04
Brugia malayi	jmjC domain containing protein	0.0041	0.0868	0.0694
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0693	0.0693
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0187	0.0187
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.1133	0.0964
Echinococcus granulosus	thioredoxin glutathione reductase	0.0048	0.1114	0.0975
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0187	0.0187
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0187	0.0187
Trypanosoma cruzi	cytochrome P450, putative	0.0027	0.0372	0.1293
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.004	0.0844	0.067
Loa Loa (eye worm)	jmjC domain-containing protein	0.0041	0.0868	0.0868
Brugia malayi	RNA binding protein	0.0062	0.1624	0.1465
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0048	0.1114	0.0945
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0187	0.0187
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0035	0.064	0.1685
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.1624	0.1624
Leishmania major	hypothetical protein, conserved	0.0043	0.0952	0.8103
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0097	0.287	0.2734
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0035	0.064	0.0462
Loa Loa (eye worm)	CYP4Cod1	0.0027	0.0372	0.0372
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.0952	0.078
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0035	0.064	0.0462
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0036	0.0693	0.5061
Loa Loa (eye worm)	hypothetical protein	0.004	0.0844	0.0844
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0022	0.0187	0.0187
Toxoplasma gondii	thioredoxin reductase	0.0048	0.1114	0.3798
Brugia malayi	beta-lactamase family protein	0.0043	0.0952	0.078
Loa Loa (eye worm)	G-protein coupled receptor	0.0022	0.0187	0.0187
Loa Loa (eye worm)	glutathione reductase	0.0048	0.1114	0.1114
Toxoplasma gondii	PHD-finger domain-containing protein	0.0034	0.061	0.1554
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.004	0.0844	0.067
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0036	0.0693	0.0532
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0952	0.0952
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0952	0.0952
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0187	0.0187
Onchocerca volvulus		0.004	0.0844	0.0718
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.004	0.0844	0.0691
Loa Loa (eye worm)	thioredoxin reductase	0.0048	0.1114	0.1114
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0187	0.0187
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0187	0.0187
Loa Loa (eye worm)	cytochrome P450 family protein	0.0027	0.0372	0.0372
Brugia malayi	Cytochrome P450 family protein	0.0027	0.0372	0.0188
Plasmodium falciparum	histone acetyltransferase GCN5	0.0079	0.2246	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0952	0.8103
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0122	0.3769	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0041	0.0868	0.0694
Brugia malayi	Pre-SET motif family protein	0.0035	0.064	0.0462
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0034	0.061	0.0432
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0087	0.2507	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.064	0.0462
Schistosoma mansoni	hypothetical protein	0.0034	0.061	0.0432
Onchocerca volvulus		0.0043	0.0952	0.0836
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0187	0.0187
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0036	0.0693	0.5061
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.004	0.0844	0.067
Brugia malayi	Pre-SET motif family protein	0.0243	0.8133	0.8097
Loa Loa (eye worm)	G-protein coupled receptor	0.0022	0.0187	0.0187
Echinococcus granulosus	lysine specific demethylase 5A	0.0041	0.0868	0.0716
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0087	0.2507	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0952	0.8103
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.004	0.0844	0.0691
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0036	0.0693	0.0505
Echinococcus granulosus	PHD finger protein rhinoceros	0.0034	0.061	0.0445
Brugia malayi	beta-lactamase family protein	0.0043	0.0952	0.078
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0187	0.0187
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.1624	0.1465
Echinococcus granulosus	ectonucleotide	0.0034	0.0614	0.0449
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0034	0.0594	0.0427
Loa Loa (eye worm)	cytochrome P450 family protein	0.0027	0.0372	0.0372
Brugia malayi	beta-lactamase	0.0043	0.0952	0.078
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0097	0.287	0.287
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.0952	0.0952
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0122	0.3769	0.3335
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0952	0.03
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0097	0.287	0.282
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0122	0.3769	0.3335
Onchocerca volvulus		0.0035	0.064	0.0495
Schistosoma mansoni	hypothetical protein	0.0033	0.058	0.04
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0187	0.0187
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.1624	0.1465
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0286	0.9702	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.1624	0.1465
Brugia malayi	follicle stimulating hormone receptor	0.0244	0.8198	0.8164
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0187	0.0187
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0294	1	1
Brugia malayi	endonuclease G, mitochondrial precursor	0.0024	0.0261	0.0076
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0187	0.0187
Trypanosoma brucei	hypothetical protein, conserved	0.0043	0.0952	0.8103
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0187	0.0187
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0244	0.8198	0.8198
Loa Loa (eye worm)	hypothetical protein	0.004	0.0844	0.0844
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0111	0.3399	0.3375
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0036	0.0693	0.0516
Mycobacterium ulcerans	lipase LipD	0.0043	0.0952	1
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0087	0.2507	0.2438
Brugia malayi	Thrombospondin type 1 domain containing protein	0.0087	0.2534	0.2392
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.9399	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0187	0.0187
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0097	0.287	0.2734
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0036	0.0693	0.5061
Schistosoma mansoni	hypothetical protein	0.0087	0.2534	0.2392
Loa Loa (eye worm)	acetyltransferase	0.0294	1	1
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0109	0.3329	0.2814
Schistosoma mansoni	jumonji domain containing protein	0.0088	0.2574	0.2432
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0952	0.0952
Echinococcus granulosus	ubiquitin specific protease 41	0.0036	0.0693	0.0532
Brugia malayi	glutathione reductase	0.0048	0.1114	0.0945
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0022	0.0187	0.0187
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0097	0.287	0.2734
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0187	0.0187
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0187	0.0187
Plasmodium vivax	SET domain protein, putative	0.0035	0.064	0.0155
Loa Loa (eye worm)	hypothetical protein	0.0034	0.061	0.061
Brugia malayi	Cytochrome P450 family protein	0.0027	0.0372	0.0188
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0187	0.0187
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0187	0.0187
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0187	0.0187
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0187	0.0187
Echinococcus granulosus	histone lysine methyltransferase setb	0.0035	0.064	0.0476
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0952	0.0952
Echinococcus multilocularis	lysine specific demethylase 5A	0.0041	0.0868	0.0694
Loa Loa (eye worm)	neuropeptide F receptor	0.0022	0.0187	0.0187
Trichomonas vaginalis	set domain proteins, putative	0.0276	0.9342	1
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.004	0.0844	0.067
Loa Loa (eye worm)	TYRA-2 protein	0.0022	0.0187	0.0187
Brugia malayi	Bromodomain containing protein	0.0041	0.087	0.0697
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.1624	0.1465
Trypanosoma cruzi	trypanothione reductase, putative	0.0048	0.1114	1
Loa Loa (eye worm)	RNA binding protein	0.0062	0.1624	0.1624
Plasmodium falciparum	thioredoxin reductase	0.0048	0.1114	0.3079
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.064	0.0462
Entamoeba histolytica	acetyltransferase, GNAT family	0.0079	0.2246	1
Mycobacterium tuberculosis	Probable dehydrogenase	0.0109	0.3329	0.2814
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0187	0.0187
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0036	0.0693	0.0516
Brugia malayi	TAR-binding protein	0.0062	0.1624	0.1465
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.004	0.0844	0.0691
Loa Loa (eye worm)	melatonin receptor type 1A	0.0022	0.0187	0.0187
Mycobacterium tuberculosis	Probable reductase	0.0109	0.3329	0.2814
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0087	0.2507	0.2097
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0087	0.2507	1
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0048	0.1114	0.0191
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0187	0.0187
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0097	0.287	0.282
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0035	0.064	0.0462
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0034	0.0614	0.0449
Trichomonas vaginalis	esterase, putative	0.0043	0.0952	0.03
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0187	0.0187
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0187	0.0187
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0952	0.078
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0187	0.0187
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0097	0.287	0.2734
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.004	0.0844	0.067
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.004	0.0844	0.0691
Mycobacterium tuberculosis	Probable oxidoreductase	0.0122	0.3769	0.3335
Toxoplasma gondii	PHD-finger domain-containing protein	0.0034	0.061	0.1554
Mycobacterium ulcerans	esterase/lipase LipP	0.0043	0.0952	1
Loa Loa (eye worm)	thrombospondin type 1 domain-containing protein	0.0087	0.2534	0.2534
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0041	0.0868	0.0694
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.1133	0.1133
Brugia malayi	Type I phosphodiesterase / nucleotide pyrophosphatase family protein	0.004	0.0844	0.067
Brugia malayi	PHD-finger family protein	0.0034	0.061	0.0432
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0187	0.0187
Onchocerca volvulus		0.0087	0.2534	0.2564
Loa Loa (eye worm)	neuropeptide F receptor	0.0022	0.0187	0.0187
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0952	0.03
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.004	0.0844	0.0691
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.1133	0.0964
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.0952	0.1804
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0187	0.0187
Onchocerca volvulus		0.0276	0.9342	1
Brugia malayi	jmjC domain containing protein	0.0111	0.3399	0.3273
Leishmania major	cytochrome p450-like protein	0.0027	0.0372	0.1293
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.1624	0.1465
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0614	0.0614
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0187	0.0187
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0187	0.0187
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0022	0.0187	0.0187
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.004	0.0844	0.067
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.0952	0.078
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0187	0.0187
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0097	0.287	0.2734
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0187	0.0187
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.1624	0.1465
Trypanosoma brucei	trypanothione reductase	0.0048	0.1114	1
Echinococcus granulosus	jumonji domain containing protein	0.0047	0.109	0.095
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0187	0.0187
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0952	0.0952
Loa Loa (eye worm)	hypothetical protein	0.0033	0.058	0.058
Onchocerca volvulus		0.0043	0.0952	0.0836
Toxoplasma gondii	ABC1 family protein	0.0043	0.0952	0.3077
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.004	0.0844	0.067
Echinococcus multilocularis	ubiquitin specific protease 41	0.0036	0.0693	0.0516
Plasmodium vivax	thioredoxin reductase, putative	0.0048	0.1114	0.2656
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0097	0.287	0.2734
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.1624	0.1624
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0187	0.0187
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0952	0.0952
Echinococcus multilocularis	Endonuclease G	0.0024	0.0261	0.0076
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.004	0.0844	0.067
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0187	0.0187
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0187	0.0187
Onchocerca volvulus	Alhambra homolog	0.0034	0.061	0.0463
Loa Loa (eye worm)	hypothetical protein	0.0048	0.1133	0.1133
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.004	0.0844	0.067
Echinococcus granulosus	Endonuclease G	0.0024	0.0261	0.0078
Echinococcus granulosus	peregrin	0.0041	0.087	0.0718
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0043	0.0952	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0187	0.0187
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0952	0.03
Plasmodium vivax	glutathione reductase, putative	0.0048	0.1114	0.2656

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.04 uM	Inhibition of human recombinant ATX using FS-3 as substrate incubated in dark for 45 mins by fluorescence assay	LITERATURE.	27780639
IC50 (binding)	= 0.473 uM	Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase substrate by horseradish peroxidase/choline oxidase-coupled assay	LITERATURE.	27780639
IC50 (binding)	= 8.87 uM	Inhibition of ATX in human plasma assessed as decrease in hydrolysis of lysophosphatidylcholine by measuring choline release after 24 hrs by horseradish peroxidase/choline oxidase-coupled assay	LITERATURE.	27780639
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL1889181

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1537904