TDR Targets

Basic information

Technical information

TDR Targets ID: 1276030
Name: [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5 -yl)-2-oxoethyl] quinoline-4-carboxylate
MW: 368.343 | Formula: C18H16N4O5
H donors: 1 H acceptors: 5 LogP: 1.21 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1ccnc2c1cccc2)OCC(=O)c1c(N)n(C)c(=O)n(c1=O)C
InChi: 1S/C18H16N4O5/c1-21-15(19)14(16(24)22(2)18(21)26)13(23)9-27-17(25)11-7-8-20-12-6-4-3-5-10(11)12/h3-8H,9,19H2,1-2H3
InChiKey: JQKXLBMNJYRHOL-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

[2-(4-amino-1,3-dimethyl-2,6-dioxo-pyrimidin-5-yl)-2-oxo-ethyl] quinoline-4-carboxylate
4-quinolinecarboxylic acid [2-(4-amino-1,3-dimethyl-2,6-dioxo-5-pyrimidinyl)-2-oxoethyl] ester
cinchoninic acid [2-(4-amino-2,6-diketo-1,3-dimethyl-pyrimidin-5-yl)-2-keto-ethyl] ester
NCGC00142272-01
CC-PMLSC-DMA-P78
MLS000889053
SMR000209025
SDCCGMLS-0091832.P001

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	lamin A/C	Starlite/ChEMBL	No references
Homo sapiens	cytochrome P450, family 3, subfamily A, polypeptide 4	Starlite/ChEMBL	No references
Homo sapiens	ATPase family, AAA domain containing 5	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Candida albicans	closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Trypanosoma cruzi	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Echinococcus multilocularis	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania donovani	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Schistosoma japonicum	Intermediate filament protein ifa-1, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	intermediate filament proteins	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Echinococcus multilocularis	musashi	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	CYP4Cod1	Get druggable targets OG5_126554	All targets in OG5_126554
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	cytochrome P450 556	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma brucei	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Echinococcus granulosus	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Leishmania mexicana	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania major	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Echinococcus granulosus	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Trypanosoma cruzi	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma brucei gambiense	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania braziliensis	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	Get druggable targets OG5_126554	All targets in OG5_126554
Brugia malayi	Intermediate filament tail domain containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Leishmania infantum	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Schistosoma japonicum	ko:K07611 lamin, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	Get druggable targets OG5_139225	All targets in OG5_139225
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Candida albicans	cytochrome P450 56	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma congolense	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Schistosoma japonicum	Lamin-C, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	cytochrome P450	cytochrome P450, family 3, subfamily A, polypeptide 4	502 aa	492 aa	24.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	poly [ADP-ribose] polymerase	0.0141	0.1285	0.3989
Toxoplasma gondii	shikimate dehydrogenase substrate binding domain-containing protein	0.0291	0.2846	0.8146
Echinococcus multilocularis	expressed protein	0.0032	0.0158	0.0071
Toxoplasma gondii	peptidylprolyl isomerase	0.0032	0.015	0.0184
Trypanosoma cruzi	histone deacetylase, putative	0.0308	0.3028	1
Brugia malayi	Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1	0.0032	0.0158	0.0514
Mycobacterium leprae	PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO)	0.0044	0.0279	0.0783
Brugia malayi	cell division control protein 2 homolog	0.0042	0.0259	0.0847
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0044	0.0279	0.0802
Leishmania major	cell division protein kinase 2,cdc2-related kinase	0.0042	0.0259	0.0817
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.006	0.0096
Echinococcus multilocularis	replication factor c subunit 1	0.0026	0.0088	0.00000035204
Plasmodium vivax	protoporphyrinogen oxidase, putative	0.0044	0.0279	0.0802
Schistosoma mansoni	poly [ADP-ribose] polymerase	0.0077	0.0626	0.1792
Echinococcus granulosus	WGR domain containing protein	0.0044	0.0276	0.0414
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.0344	0.1127
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.0044	0.0279	0.0564
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.006	0.0103
Brugia malayi	WGR domain containing protein	0.0141	0.1285	0.4241
Echinococcus multilocularis	protoporphyrinogen oxidase	0.0044	0.0279	0.0193
Trypanosoma brucei	cdc2-related kinase 3	0.0042	0.0259	0.0817
Leishmania major	histone deacetylase, putative	0.0263	0.2555	0.8434
Echinococcus multilocularis	histone deacetylase	0.0308	0.3028	0.2966
Chlamydia trachomatis	phosphoshikimate 1-carboxyl vinyltransferase	0.0291	0.2846	0.8193
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.0044	0.0279	0.0193
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0092	0.0775	0.2552
Echinococcus granulosus	macrophage colony stimulating factor 1 receptor	0.0551	0.5546	1
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, putative	0.0032	0.015	0.0405
Trypanosoma cruzi	histone deacetylase, putative	0.013	0.1172	0.3844
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	0.0042	0.0259	0.0505
Trichomonas vaginalis	histone deacetylase, putative	0.0263	0.2555	1
Brugia malayi	amine oxidase, flavin-containing family protein	0.0044	0.0279	0.0912
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.0581	0.5857	1
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0626	0.2067
Trypanosoma cruzi	histone deacetylase 1, putative	0.0263	0.2555	0.8434
Entamoeba histolytica	cell division protein kinase 2, putative	0.0042	0.0259	0.0838
Trypanosoma cruzi	cdc2-related kinase 3	0.0042	0.0259	0.0817
Trichomonas vaginalis	histone deacetylase, putative	0.0263	0.2555	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0088	0.029
Echinococcus granulosus	poly ADP ribose polymerase 1	0.0141	0.1285	0.225
Loa Loa (eye worm)	hypothetical protein	0.0048	0.032	0.1057
Echinococcus multilocularis	lamin	0.0033	0.016	0.0073
Leishmania major	histone deacetylase, putative	0.0263	0.2555	0.8434
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.006	0.0191
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0625	0.6314	1
Echinococcus granulosus	cdgsh iron sulfur domain containing protein	0.0251	0.2426	0.4325
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0088	0.029
Leishmania major	UDP-galactopyranose mutase	0.0044	0.0279	0.0882
Trypanosoma cruzi	hypothetical protein, conserved	0.0026	0.0088	0.0249
Trypanosoma brucei	histone deacetylase 4	0.0308	0.3028	1
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase/rotamase, putative	0.0032	0.015	0.0456
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.006	0.0096
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0158	0.0285
Brugia malayi	histone deacetylase 3 (HD3)	0.0263	0.2555	0.8439
Brugia malayi	hypothetical protein	0.0119	0.1063	0.3507
Echinococcus multilocularis		0.0044	0.0279	0.0193
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.006	0.0046
Mycobacterium ulcerans	3-dehydroquinate synthase	0.0113	0.0999	0.1582
Loa Loa (eye worm)	hypothetical protein	0.005	0.0344	0.1135
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0092	0.0775	0.132
Mycobacterium ulcerans	monoamine oxidase	0.0044	0.0279	0.0441
Loa Loa (eye worm)	histone deacetylase 11	0.013	0.1172	0.3869
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0088	0.029
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.0026	0.0088	0.0000014141
Echinococcus multilocularis	tumor protein p63	0.0328	0.3228	0.3168
Loa Loa (eye worm)	hypothetical protein	0.0033	0.016	0.0528
Onchocerca volvulus		0.0023	0.006	0.0413
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0279	0.092
Giardia lamblia	Kinase, CMGC CDK	0.0042	0.0259	0.0693
Echinococcus multilocularis	musashi	0.0033	0.016	0.0073
Trypanosoma cruzi	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.0026	0.0088	0.0249
Plasmodium falciparum	protoporphyrinogen oxidase	0.0044	0.0279	0.0802
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.0344	0.1127
Echinococcus granulosus	nibrin	0.0026	0.0088	0.0071
Brugia malayi	SWIRM domain containing protein	0.0044	0.0279	0.0912
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0154	0.0508
Onchocerca volvulus		0.0033	0.016	0.1271
Echinococcus granulosus	histone deacetylase 7	0.0308	0.3028	0.5419
Loa Loa (eye worm)	histone deacetylase 1	0.0263	0.2555	0.844
Brugia malayi	Protein kinase domain containing protein	0.0042	0.0259	0.0847
Mycobacterium ulcerans	protoporphyrinogen oxidase	0.0044	0.0279	0.0441
Mycobacterium ulcerans	dehydrogenase	0.0044	0.0279	0.0441
Echinococcus multilocularis	poly (ADP ribose) polymerase 1	0.0141	0.1285	0.1208
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0092	0.0775	0.0693
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.006	0.0096
Leishmania major	peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative	0.0032	0.015	0.0456
Brugia malayi	ATP dependent DNA ligase C terminal region family protein	0.0026	0.0088	0.0281
Brugia malayi	WGR domain containing protein	0.0077	0.0626	0.206
Schistosoma mansoni	histone deacetylase 4 5	0.0308	0.3028	0.9792
Trypanosoma cruzi	FHA domain containing protein, putative	0.0026	0.0088	0.0249
Brugia malayi	Uncharacterized hematopoietic stem/progenitor cells protein MDS029	0.0107	0.0929	0.3062
Mycobacterium tuberculosis	3-phosphoshikimate 1-carboxyvinyltransferase AroA (5-enolpyruvylshikimate-3-phosphate synthase) (EPSP synthase) (EPSPS)	0.0113	0.0999	0.1705
Schistosoma mansoni	histone deacetylase 4 5	0.0308	0.3028	0.9792
Plasmodium vivax	histone deacetylase 1, putative	0.0263	0.2555	0.7356
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0044	0.0279	0.0418
Toxoplasma gondii	histone deacetylase HDAC2	0.0263	0.2555	0.7288
Brugia malayi	histone deacetylase 11	0.013	0.1172	0.3864
Plasmodium vivax	protein kinase Crk2	0.0042	0.0259	0.0745
Trichomonas vaginalis	histone deacetylase, putative	0.0263	0.2555	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.0344	0.1135
Echinococcus granulosus	intermediate filament protein	0.0033	0.016	0.0202
Schistosoma mansoni	serine/threonine protein kinase	0.0042	0.0259	0.057
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0279	0.092
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0279	0.092
Mycobacterium ulcerans	3-phosphoshikimate 1-carboxyvinyltransferase	0.0291	0.2846	0.4507
Onchocerca volvulus		0.0107	0.0929	0.7906
Loa Loa (eye worm)	hypothetical protein	0.0023	0.006	0.02
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0092	0.0775	0.2559
Brugia malayi	topoisomerase	0.0026	0.0088	0.0281
Loa Loa (eye worm)	histone deacetylase 3	0.0263	0.2555	0.844
Mycobacterium leprae	probable 3-phosphoshikimate 1-carboxyvinyl transferase AroA (5-ENOLPYRUVYLSHIKIMATE-3-PHOSPHATE SYNTHASE) (EPSP SYNTHASE) (EPSPS	0.0291	0.2846	1
Echinococcus granulosus	lamin dm0	0.0033	0.016	0.0202
Trichomonas vaginalis	CMGC family protein kinase	0.0042	0.0259	0.0693
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0017	0.0003	0.0009
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0032	0.015	0.0456
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0033	0.016	0.0528
Echinococcus granulosus	histone deacetylase	0.0308	0.3028	0.5419
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.006	0.0096
Echinococcus multilocularis	histone deacetylase 6	0.0308	0.3028	0.2966
Trichomonas vaginalis	rotamase, putative	0.0032	0.015	0.0253
Trichomonas vaginalis	replication factor C large subunit, putative	0.0026	0.0088	0.0000014141
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0929	0.3068
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0263	0.2555	1
Brugia malayi	Pax transcription activation domain interacting protein	0.0026	0.0088	0.0281
Echinococcus granulosus	histone deacetylase 1	0.0263	0.2555	0.456
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.006	0.0096
Mycobacterium leprae	3-dehydroquinate synthase AroB	0.0113	0.0999	0.3368
Mycobacterium ulcerans	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	0.0178	0.1669	0.2643
Toxoplasma gondii	poly(ADP-ribose) polymerase catalytic domain-containing protein	0.0166	0.1552	0.4324
Trypanosoma cruzi	poly(ADP-ribose) polymerase, putative	0.0077	0.0626	0.2034
Echinococcus granulosus	geminin	0.0175	0.1645	0.2903
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.006	0.0159
Echinococcus multilocularis	cyclin dependent kinase 5 activator 1	0.025	0.2416	0.2349
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0088	0.029
Echinococcus multilocularis	cyclin dependent kinase 1	0.0042	0.0259	0.0173
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0279	0.092
Trypanosoma cruzi	hypothetical protein, conserved	0.0026	0.0088	0.0249
Brugia malayi	hypothetical protein	0.0026	0.0088	0.0281
Onchocerca volvulus		0.0033	0.016	0.1271
Mycobacterium leprae	Chorismate synthase AroF (5-enolpyruvylshikimate-3-phosphate phospholyase).	0.0173	0.1622	0.5608
Echinococcus multilocularis	lamin dm0	0.0033	0.016	0.0073
Schistosoma mansoni	lamin	0.0033	0.016	0.024
Entamoeba histolytica	acyl-coA synthetase, putative	0.0023	0.006	0.0046
Trypanosoma cruzi	poly(ADP-ribose) polymerase, putative	0.0077	0.0626	0.2034
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0092	0.0775	0.2288
Schistosoma mansoni	cyclin-dependent kinase 5 activator	0.025	0.2416	0.7754
Onchocerca volvulus		0.0048	0.032	0.2653
Leishmania major	histone deacetylase, putative	0.0308	0.3028	1
Plasmodium falciparum	replication factor C subunit 1, putative	0.0026	0.0088	0.0253
Plasmodium falciparum	histone deacetylase 1	0.0263	0.2555	0.7356
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0178	0.0589
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0263	0.2555	1
Plasmodium vivax	hypothetical protein, conserved	0.0044	0.0279	0.0802
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0092	0.0775	0.132
Entamoeba histolytica	poly(ADP-ribose) polymerase, putative	0.0141	0.1285	0.4934
Toxoplasma gondii	histone lysine-specific demethylase	0.0044	0.0279	0.0564
Mycobacterium tuberculosis	3-dehydroquinate synthase AroB	0.0113	0.0999	0.1705
Mycobacterium ulcerans	NAD-dependent DNA ligase LigA	0.0026	0.0088	0.0139
Echinococcus multilocularis	histone deacetylase 7	0.0308	0.3028	0.2966
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.006	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0013	0.0042
Brugia malayi	Intermediate filament tail domain containing protein	0.0033	0.016	0.052
Loa Loa (eye worm)	hypothetical protein	0.025	0.2416	0.798
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0279	0.092
Schistosoma mansoni	hypothetical protein	0.0034	0.0178	0.0302
Trypanosoma brucei	histone deacetylase, putative	0.0308	0.3028	1
Schistosoma mansoni	histone deacetylase hda2	0.0314	0.309	1
Schistosoma mansoni	histone deacetylase	0.0263	0.2555	0.8219
Trypanosoma cruzi	histone deacetylase, putative	0.0308	0.3028	1
Toxoplasma gondii	histone deacetylase HDAC3	0.0263	0.2555	0.7288
Mycobacterium ulcerans	hypothetical protein	0.0023	0.006	0.0096
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	0.0042	0.0259	0.0817
Brugia malayi	intermediate filament protein	0.0033	0.016	0.052
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.0026	0.0088	0.0000014141
Loa Loa (eye worm)	poly(ADP-ribose) polymerase	0.0056	0.0398	0.1316
Plasmodium falciparum	protein kinase 5	0.0042	0.0259	0.0745
Leishmania major	histone deacetylase, putative	0.0308	0.3028	1
Mycobacterium ulcerans	chorismate synthase	0.0351	0.3474	0.5502
Trichomonas vaginalis	rotamase, putative	0.0032	0.0158	0.0285
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.006	0.0096
Plasmodium vivax	lysine-specific histone demethylase 1, putative	0.0044	0.0279	0.0802
Schistosoma mansoni	poly [ADP-ribose] polymerase	0.0067	0.0517	0.143
Chlamydia trachomatis	DNA ligase	0.0026	0.0088	0.0253
Echinococcus multilocularis	histone deacetylase 8	0.013	0.1172	0.1093
Wolbachia endosymbiont of Brugia malayi	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	0.0178	0.1669	1
Loa Loa (eye worm)	hypothetical protein	0.0179	0.1678	0.5541
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0625	0.6314	1
Entamoeba histolytica	histone deacetylase, putative	0.0263	0.2555	1
Trypanosoma brucei	histone deacetylase 1	0.0263	0.2555	0.8434
Brugia malayi	histone deacetylase 1 (HD1)	0.0263	0.2555	0.8439
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0032	0.015	0.0456
Chlamydia trachomatis	chorismate synthase	0.0351	0.3474	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.006	0.02
Echinococcus multilocularis	poly (adp ribose) polymerase 2	0.0077	0.0626	0.0543
Echinococcus granulosus	histone deacetylase 6	0.0314	0.309	0.5533
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0936	0.3091
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.006	0.0191
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.0044	0.0279	0.0636
Echinococcus granulosus	histone deacetylase 8	0.013	0.1172	0.2042
Chlamydia trachomatis	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	0.0178	0.1669	0.4804
Schistosoma mansoni	rotamase	0.0032	0.0158	0.0234
Brugia malayi	hypothetical protein	0.0044	0.0279	0.0912
Toxoplasma gondii	histone deacetylase HDAC5	0.013	0.1172	0.3201
Plasmodium falciparum	chorismate synthase	0.0351	0.3474	1
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.0044	0.0279	0.0636
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0092	0.0775	0.2288
Schistosoma mansoni	serine/threonine protein kinase	0.0042	0.0259	0.057
Echinococcus granulosus	cyclin dependent kinase 5	0.0042	0.0259	0.0382
Loa Loa (eye worm)	Pin1-type peptidyl-prolyl cis-trans isomerase	0.0032	0.0158	0.0522
Schistosoma mansoni	histone deacetylase	0.0263	0.2555	0.8219
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0044	0.0279	0.0418
Echinococcus granulosus	histone deacetylase 3	0.0263	0.2555	0.456
Plasmodium vivax	histone deacetylase, putative	0.013	0.1172	0.3373
Schistosoma mansoni	cellular tumor antigen P53	0.0048	0.032	0.0773
Echinococcus multilocularis	cyclin dependent kinase 1	0.0042	0.0259	0.0173
Schistosoma mansoni	hypothetical protein	0.0266	0.2583	0.8311
Trichomonas vaginalis	histone deacetylase, putative	0.0263	0.2555	1
Echinococcus granulosus	histone deacetylase 6	0.0308	0.3028	0.5419
Echinococcus granulosus	replication factor c subunit 1	0.0026	0.0088	0.0071
Echinococcus multilocularis	poly (ADP ribose) polymerase	0.0032	0.0157	0.007
Toxoplasma gondii	histone deacetylase HDAC4	0.013	0.1172	0.3201
Brugia malayi	DKFZp564C0469 protein	0.0026	0.0088	0.0281
Echinococcus granulosus	poly (ADP ribose) polymerase	0.0044	0.0276	0.0414
Brugia malayi	Histone deacetylase family protein	0.0308	0.3028	1
Schistosoma mansoni	CDGSH-type Zn finger-containing protein-like protein	0.0266	0.2583	0.8311
Echinococcus granulosus	lamin	0.0033	0.016	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0185	0.174	0.5747
Mycobacterium leprae	PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+])	0.0026	0.0088	0.0098
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0044	0.0279	0.0882
Echinococcus multilocularis	cdgsh iron sulfur domain containing protein	0.0251	0.2426	0.2359
Echinococcus granulosus	cyclin dependent kinase	0.0042	0.0259	0.0382
Onchocerca volvulus		0.0044	0.0279	0.2296
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0088	0.029
Plasmodium vivax	histone deacetylase, putative	0.0308	0.3028	0.8716
Mycobacterium tuberculosis	Probable chorismate synthase AroF (5-enolpyruvylshikimate-3-phosphate phospholyase)	0.0173	0.1622	0.277
Loa Loa (eye worm)	hypothetical protein	0.0263	0.2555	0.844
Giardia lamblia	Histone deacetylase	0.0263	0.2555	1
Loa Loa (eye worm)	histone deacetylase 7A	0.0308	0.3028	1
Schistosoma mansoni	amine oxidase	0.0044	0.0279	0.0636
Trypanosoma cruzi	histone deacetylase, putative	0.013	0.1172	0.3844
Entamoeba histolytica	cell division protein kinase 2, putative	0.0042	0.0259	0.0838
Toxoplasma gondii	chorismate synthase, putative	0.0351	0.3474	1
Plasmodium falciparum	histone deacetylase, putative	0.0308	0.3028	0.8716
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0178	0.0581
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.006	0.0191
Loa Loa (eye worm)	hypothetical protein	0.0119	0.1063	0.3512
Chlamydia trachomatis	dehyroquinate synthase	0.0113	0.0999	0.2875
Brugia malayi	Histone deacetylase family protein	0.0308	0.3028	1
Trypanosoma brucei	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.0026	0.0088	0.0249
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0044	0.0279	0.0476
Schistosoma mansoni	3-dehydroquinate synthase	0.0113	0.0999	0.3034
Brugia malayi	Histone deacetylase 1	0.0263	0.2555	0.8439
Plasmodium falciparum	histone deacetylase 2	0.0308	0.3028	0.8716
Treponema pallidum	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	0.0178	0.1669	1
Plasmodium vivax	replication factor C subunit 1, putative	0.0026	0.0088	0.0253
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0092	0.0775	0.2288
Trypanosoma cruzi	histone deacetylase 1, putative	0.0263	0.2555	0.8434
Echinococcus granulosus	tumor protein p63	0.0328	0.3228	0.5783
Schistosoma mansoni	lamin	0.0033	0.016	0.024
Onchocerca volvulus		0.0026	0.0088	0.0649
Plasmodium vivax	chorismate synthase	0.0351	0.3474	1
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.0042	0.0259	0.0382
Trichomonas vaginalis	histone deacetylase, putative	0.0263	0.2555	1
Echinococcus multilocularis	histone deacetylase 6	0.0308	0.3028	0.2966
Mycobacterium tuberculosis	Possible oxidoreductase	0.0044	0.0279	0.0476
Schistosoma mansoni	amine oxidase	0.0044	0.0279	0.0636
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0263	0.2555	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0279	0.092
Trypanosoma cruzi	cdc2-related kinase 1	0.0042	0.0259	0.0817
Echinococcus granulosus	histone deacetylase 6	0.0308	0.3028	0.5419
Plasmodium falciparum	lysine-specific histone demethylase 1, putative	0.0044	0.0279	0.0802
Trichomonas vaginalis	CMGC family protein kinase	0.0042	0.0259	0.0693
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.006	0.0046
Echinococcus multilocularis	histone deacetylase 1	0.0263	0.2555	0.2489
Giardia lamblia	Kinase, CMGC CDK	0.0042	0.0259	0.0693
Chlamydia trachomatis	protoporphyrinogen oxidase	0.0044	0.0279	0.0802
Echinococcus multilocularis	cyclin dependent kinase 5	0.0042	0.0259	0.0173
Entamoeba histolytica	hypothetical protein	0.0026	0.0088	0.0156
Echinococcus granulosus	cyclin dependent kinase 5 activator 1	0.025	0.2416	0.4306
Toxoplasma gondii	histone deacetylase HDAC1	0.0308	0.3028	0.8683
Trichomonas vaginalis	CMGC family protein kinase	0.0042	0.0259	0.0693
Trypanosoma brucei	cdc2-related kinase 1	0.0042	0.0259	0.0817
Schistosoma mansoni	intermediate filament proteins	0.0033	0.016	0.024
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.006	0.0159
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0254	0.0839
Trichomonas vaginalis	histone deacetylase, putative	0.0263	0.2555	1
Trypanosoma cruzi	cdc2-related kinase 1	0.0042	0.0259	0.0817
Loa Loa (eye worm)	intermediate filament protein	0.0033	0.016	0.0528
Echinococcus granulosus	poly adp ribose polymerase 2	0.0077	0.0626	0.105
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0092	0.0775	0.0693
Echinococcus granulosus	expressed protein	0.0032	0.0158	0.0199
Trypanosoma brucei	histone deacetylase 3	0.0308	0.3028	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.006	0.0159
Entamoeba histolytica	Activator 1 140 kDa subunit, putative	0.0026	0.0088	0.0156
Loa Loa (eye worm)	histone deacetylase	0.0308	0.3028	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0088	0.029
Echinococcus multilocularis	histone deacetylase 3	0.0263	0.2555	0.2489
Schistosoma mansoni	hypothetical protein	0.0175	0.1645	0.5185
Plasmodium vivax	histone deacetylase 2, putative	0.0308	0.3028	0.8716
Schistosoma mansoni	histone deacetylase hda2	0.013	0.1172	0.361
Trypanosoma cruzi	histone deacetylase, putative	0.0308	0.3028	1
Echinococcus multilocularis	cyclin dependent kinase	0.0042	0.0259	0.0173
Loa Loa (eye worm)	hypothetical protein	0.0023	0.006	0.02
Trypanosoma cruzi	cdc2-related kinase 3	0.0042	0.0259	0.0817
Schistosoma mansoni	chromosome transmission fidelity factor	0.0026	0.0088	0.0000011622
Loa Loa (eye worm)	hypothetical protein	0.013	0.1172	0.3869
Trypanosoma brucei	poly(adp-ribose) polymerase	0.0077	0.0626	0.2034
Schistosoma mansoni	histone deacetylase 1 2 3	0.013	0.1172	0.361
Loa Loa (eye worm)	hypothetical protein	0.0119	0.1063	0.3512
Schistosoma mansoni	hypothetical protein	0.0175	0.1645	0.5185
Echinococcus multilocularis	histone deacetylase 6	0.0314	0.309	0.3029
Onchocerca volvulus	Histone deacetylase 10 homolog	0.013	0.1172	1
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0042	0.0259	0.0855
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.0042	0.0259	0.0855
Plasmodium vivax	hypothetical protein, conserved	0.0044	0.0279	0.0802
Mycobacterium ulcerans	oxidoreductase	0.0044	0.0279	0.0441
Echinococcus multilocularis	geminin	0.0175	0.1645	0.1571
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.006	0.0096
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0044	0.0279	0.0882
Brugia malayi	hypothetical protein	0.0026	0.0088	0.0281
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0042	0.0259	0.0855
Trypanosoma brucei	histone deacetylase 2	0.013	0.1172	0.3844
Echinococcus granulosus	cyclin dependent kinase 1	0.0042	0.0259	0.0382

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.5174 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143]	ChEMBL.	No reference
Potency (functional)	= 2.5119 um	PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	13.1154 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (ADMET)	= 15.8489 um	PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ]	ChEMBL.	No reference
Potency (ADMET)	= 15.8489 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ]	ChEMBL.	No reference
Potency (functional)	= 22.3872 um	PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ]	ChEMBL.	No reference
Potency (functional)	= 28.1838 um	PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ]	ChEMBL.	No reference
Potency (functional)	= 28.1838 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))]	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262]	ChEMBL.	No reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	31.6228 uM	PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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

Annotated phenotypes:

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

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

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

External resources for this compound

ChEMBL: CHEMBL1374591

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1276030