TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 293.318 | Formula: C14H19N3O4
H donors: 3 H acceptors: 5 LogP: -0.44 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: OC[C@@]1(C)O[C@H]([C@]([C@]1(C)O)(C)O)n1ccc2c1ncnc2
InChi: 1S/C14H19N3O4/c1-12(7-18)14(3,20)13(2,19)11(21-12)17-5-4-9-6-15-8-16-10(9)17/h4-6,8,11,18-20H,7H2,1-3H3/t11-,12-,13+,14-/m1/s1
InChiKey: SUNQQEMOGUKLNV-YIYPIFLZSA-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

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	CMGC/DYRK/DYRK2 protein kinase	0.0505	0.6872	0.7675
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0126	0.015
Trichomonas vaginalis	CMGC family protein kinase	0.0505	0.6872	1
Echinococcus granulosus	mitogen activated protein kinase 15	0.0117	0.1411	0.1411
Echinococcus multilocularis	dual specificity	0.0505	0.6872	0.6872
Trichomonas vaginalis	AGC family protein kinase	0.0117	0.1411	0.1335
Schistosoma mansoni	aryl hydrocarbon receptor	0.0051	0.0495	0.0488
Echinococcus multilocularis	hypothetical protein	0.0112	0.135	0.135
Trichomonas vaginalis	CAMK family protein kinase	0.0117	0.1411	0.1335
Echinococcus granulosus	SAM and MBT domain containing protein	0.005	0.0481	0.0481
Brugia malayi	Dual-specificity tyrosine-phosphorylation regulated kinase 2	0.0505	0.6872	0.7728
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0025	0.0126	0.3277
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0037	0.0032
Trichomonas vaginalis	CAMK family protein kinase	0.0117	0.1411	0.1335
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0198	0.256	0.256
Trichomonas vaginalis	CMGC family protein kinase	0.0505	0.6872	1
Loa Loa (eye worm)	acetyltransferase	0.0057	0.057	0.0628
Schistosoma mansoni	hypothetical protein	0.0112	0.135	0.1342
Schistosoma mansoni	CREB-binding protein 2	0.0188	0.242	0.2414
Trichomonas vaginalis	CAMK family protein kinase	0.0117	0.1411	0.1335
Schistosoma mansoni	sex comb on midleg homolog	0.005	0.0481	0.0473
Brugia malayi	TAZ zinc finger family protein	0.0188	0.242	0.2715
Schistosoma mansoni	hypothetical protein	0.0179	0.2285	0.2279
Trichomonas vaginalis	CAMK family protein kinase	0.0117	0.1411	0.1335
Trichomonas vaginalis	CAMK family protein kinase	0.0117	0.1411	0.1335
Brugia malayi	TAR-binding protein	0.0067	0.0713	0.0794
Echinococcus granulosus	serine:threonine protein kinase haspin	0.0649	0.8889	0.8889
Schistosoma mansoni	hypothetical protein	0.0306	0.4071	0.4066
Loa Loa (eye worm)	CBP-B	0.0158	0.2	0.2227
Trichomonas vaginalis	CAMK family protein kinase	0.0117	0.1411	0.1335
Trichomonas vaginalis	CAMK family protein kinase	0.0117	0.1411	0.1335
Brugia malayi	hypothetical protein	0.0649	0.8889	1
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0019	0.0037	0.5
Brugia malayi	cyclin-dependent kinase 7 homolog	0.0117	0.1411	0.158
Echinococcus granulosus	CREB binding protein	0.0151	0.1893	0.1893
Brugia malayi	hypothetical protein	0.0039	0.0317	0.0348
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0713	0.0706
Trichomonas vaginalis	CAMK family protein kinase	0.0117	0.1411	0.1335
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0057	0.0579	0.0579
Entamoeba histolytica	acetyltransferase, GNAT family	0.005	0.0481	0.0527
Trypanosoma cruzi	serine/threonine protein kinase, putative	0.0117	0.1411	0.2026
Plasmodium falciparum	MO15-related protein kinase	0.0117	0.1411	1
Trichomonas vaginalis	G protein-coupled receptor kinase, putative	0.0117	0.1411	0.1335
Schistosoma mansoni	sex comb on midleg homolog	0.005	0.0481	0.0473
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0057	0.0579	0.0579
Trichomonas vaginalis	CAMK family protein kinase	0.0117	0.1411	0.1335
Trichomonas vaginalis	CMGC family protein kinase	0.0505	0.6872	1
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0057	0.057	0.057
Loa Loa (eye worm)	haspin protein kinase	0.0649	0.8889	0.9931
Brugia malayi	hypothetical protein	0.0039	0.0317	0.0348
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0025	0.0126	1
Trichomonas vaginalis	CAMK family protein kinase	0.0117	0.1411	0.1335
Brugia malayi	hypoxia-induced factor 1	0.0159	0.2006	0.2249
Loa Loa (eye worm)	hypothetical protein	0.0046	0.042	0.046
Schistosoma mansoni	hypothetical protein	0.0649	0.8889	0.8888
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0025	0.0126	0.3277
Brugia malayi	hypothetical protein	0.0172	0.2193	0.246
Echinococcus multilocularis	cyclin dependent kinase 9	0.0117	0.1411	0.1411
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0053	0.0513	0.0565
Entamoeba histolytica	protein kinase domain containing protein	0.0505	0.6872	1
Trichomonas vaginalis	serine/threonine kinase, putative	0.0117	0.1411	0.1335
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0025	0.0126	0.5
Trypanosoma cruzi	Mitogen-activated protein kinase 10, putative	0.0117	0.1411	0.2026
Giardia lamblia	Kinase, CAMK CAMKL	0.0117	0.1411	0.1455
Trichomonas vaginalis	AGC family protein kinase	0.0117	0.1411	0.1335
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0198	0.256	0.256
Echinococcus granulosus	tar DNA binding protein	0.0067	0.0713	0.0713
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.028	0.0305
Loa Loa (eye worm)	hypothetical protein	0.005	0.0481	0.0529
Loa Loa (eye worm)	haspin protein kinase	0.0649	0.8889	0.9931
Trichomonas vaginalis	CMGC family protein kinase	0.0505	0.6872	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0053	0.0513	0.0569
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0126	0.0131
Trichomonas vaginalis	CAMK family protein kinase	0.0117	0.1411	0.1335
Echinococcus multilocularis	serine:threonine protein kinase NLK	0.0117	0.1411	0.1411
Loa Loa (eye worm)	MBCTL1	0.0057	0.0579	0.0638
Echinococcus multilocularis	microtubule associated protein 2	0.0728	1	1
Echinococcus multilocularis	transfer RNA-Lys	0.0038	0.0308	0.0308
Trichomonas vaginalis	CAMK family protein kinase	0.0117	0.1411	0.1335
Brugia malayi	mbt repeat family protein	0.005	0.0481	0.0533
Echinococcus multilocularis	SAM and MBT domain containing protein	0.005	0.0481	0.0481
Brugia malayi	bHLH-PAS transcription factor	0.0038	0.0308	0.0338
Trichomonas vaginalis	CAMK family protein kinase	0.0117	0.1411	0.1335
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.005	0.0481	0.0473
Trichomonas vaginalis	CAMK family protein kinase	0.0117	0.1411	0.1335
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0375	0.041
Trichomonas vaginalis	CAMK family protein kinase	0.0117	0.1411	0.1335
Trichomonas vaginalis	CAMK family protein kinase	0.0117	0.1411	0.1335
Schistosoma mansoni	single-minded	0.0051	0.0495	0.0488
Brugia malayi	RNA recognition motif domain containing protein	0.0067	0.0713	0.0794
Echinococcus granulosus	serine:threonine protein kinase NLK	0.0117	0.1411	0.1411
Echinococcus granulosus	dual specificity	0.0505	0.6872	0.6872
Brugia malayi	Mitochondrial import inner membrane translocase subunit Tim17 family protein	0.0043	0.0375	0.0413
Schistosoma mansoni	protein kinase	0.0117	0.1411	0.1404
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0057	0.057	0.0299
Echinococcus granulosus	dual specificity	0.0505	0.6872	0.6872
Echinococcus multilocularis	serine:threonine protein kinase haspin	0.0649	0.8889	0.8889
Echinococcus granulosus	CREB binding protein	0.0188	0.242	0.242
Trichomonas vaginalis	CAMK family protein kinase	0.0117	0.1411	0.1335
Schistosoma mansoni	serine/threonine protein kinase	0.0117	0.1411	0.1404
Trypanosoma cruzi	dual specificity tyrosine-phosphorylation-regulated kinase 2, putative	0.0505	0.6872	1
Trichomonas vaginalis	CMGC family protein kinase	0.0117	0.1411	0.1335
Brugia malayi	mbt repeat family protein	0.005	0.0481	0.0533
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0017	0.0008	0.0008
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0126	0.0132
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0126	0.0132
Brugia malayi	Mitochondrial import inner membrane translocase subunit Tim17 family protein	0.0043	0.0375	0.0413
Echinococcus multilocularis	mitochondrial import inner membrane translocase subunit TIM23, putative	0.0043	0.0375	0.0375
Leishmania major	serine/threonine kinase-like protein, putative	0.0117	0.1411	0.2026
Echinococcus granulosus	dual specificity	0.0505	0.6872	0.6872
Brugia malayi	Mitochondrial import inner membrane translocase subunit Tim17 family protein	0.0043	0.0375	0.0413
Onchocerca volvulus		0.0038	0.0308	0.5125
Plasmodium falciparum	mitochondrial import inner membrane translocase subunit TIM23, putative	0.0043	0.0375	0.2461
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0057	0.057	0.3875
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0126	0.3277
Trichomonas vaginalis	CAMK family protein kinase	0.0117	0.1411	0.1335
Plasmodium vivax	cyclin dependent kinase 7 (cdk7), putative	0.0117	0.1411	1
Trichomonas vaginalis	CAMK family protein kinase	0.0117	0.1411	0.1335
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0037	0.0032
Trichomonas vaginalis	CAMK family protein kinase	0.0117	0.1411	0.1335
Echinococcus granulosus	Pfam-B_8186 domain containing protein	0.0112	0.135	0.135
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0513	0.0565
Brugia malayi	Cell division protein kinase 2	0.0117	0.1411	0.158
Trichomonas vaginalis	CAMK family protein kinase	0.0117	0.1411	0.1335
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0025	0.0126	0.3277
Loa Loa (eye worm)	mbt repeat family protein	0.005	0.0481	0.0529
Trichomonas vaginalis	CAMK family protein kinase	0.0117	0.1411	0.1335
Loa Loa (eye worm)	hypoxia-induced factor 1	0.0159	0.2006	0.2234
Echinococcus multilocularis	polycomb protein SCMH1	0.005	0.0481	0.0481
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0025	0.0126	0.5
Trypanosoma cruzi	Mitogen-activated protein kinase 10, putative	0.0117	0.1411	0.2026
Echinococcus granulosus	cyclin dependent kinase 9	0.0117	0.1411	0.1411
Schistosoma mansoni	serine/threonine protein kinase	0.0505	0.6872	0.6869
Plasmodium vivax	serine/threonine protein kinase KIN, putative	0.0117	0.1411	1
Giardia lamblia	Kinase, CAMK CAMKL	0.0117	0.1411	0.1455
Trichomonas vaginalis	CMGC family protein kinase	0.0117	0.1411	0.1335
Echinococcus granulosus	histone acetyltransferase MYST2	0.0057	0.0579	0.0579
Trichomonas vaginalis	AGC family protein kinase	0.0117	0.1411	0.1335
Plasmodium falciparum	histone acetyltransferase GCN5	0.005	0.0481	0.3233
Entamoeba histolytica	cell division protein kinase 2, putative	0.0117	0.1411	0.1905
Leishmania major	mitogen-activated protein kinase, putative,map kinase-like protein	0.0117	0.1411	0.2026
Trichomonas vaginalis	CAMK family protein kinase	0.0117	0.1411	0.1335
Trichomonas vaginalis	protein kinase atmrk1, putative	0.0117	0.1411	0.1335
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0057	0.0579	0.0571
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0019	0.0037	0.139
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0057	0.057	0.0299
Trichomonas vaginalis	CAMK family protein kinase	0.0117	0.1411	0.1335
Mycobacterium ulcerans	hypothetical protein	0.0025	0.0126	0.3277
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0017	0.0008	0.0008
Loa Loa (eye worm)	AGC/PDK1 protein kinase	0.0117	0.1411	0.1569
Trichomonas vaginalis	AGC family protein kinase	0.0117	0.1411	0.1335
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0017	0.0008	0.0008
Brugia malayi	PAS domain containing protein	0.0051	0.0495	0.0549
Trichomonas vaginalis	CAMK family protein kinase	0.0117	0.1411	0.1335
Trichomonas vaginalis	CMGC family protein kinase	0.0117	0.1411	0.1335
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0053	0.0513	0.0569
Trichomonas vaginalis	CAMK family protein kinase	0.0117	0.1411	0.1335
Trichomonas vaginalis	CAMK family protein kinase	0.0117	0.1411	0.1335
Entamoeba histolytica	protein kinase, putative	0.0505	0.6872	1
Loa Loa (eye worm)	RNA binding protein	0.0067	0.0713	0.0788
Trichomonas vaginalis	AGC family protein kinase	0.0117	0.1411	0.1335
Echinococcus granulosus	geminin	0.0179	0.2285	0.2285
Trichomonas vaginalis	CAMK family protein kinase	0.0117	0.1411	0.1335
Brugia malayi	RNA binding protein	0.0067	0.0713	0.0794
Echinococcus multilocularis	dual specificity	0.0505	0.6872	0.6872
Trichomonas vaginalis	CAMK family protein kinase	0.0117	0.1411	0.1335
Echinococcus granulosus	serine:threonine protein kinase haspin	0.0649	0.8889	0.8889
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0713	0.0706
Schistosoma mansoni	serine/threonine kinase	0.0117	0.1411	0.1404
Trichomonas vaginalis	CAMK family protein kinase	0.0117	0.1411	0.1335
Echinococcus granulosus	single minded 2	0.0038	0.0308	0.0308
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0713	0.0706
Trichomonas vaginalis	CAMK family protein kinase	0.0117	0.1411	0.1335
Schistosoma mansoni	hypothetical protein	0.0043	0.0375	0.0367
Leishmania major	protein kinase, putative,dual-specificity protein kinase, putative	0.0505	0.6872	1
Loa Loa (eye worm)	CMGC/CDK/CRK7 protein kinase	0.0117	0.1411	0.1569
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0579	0.0638
Echinococcus multilocularis	CREB binding protein	0.0158	0.1988	0.1988
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0067	0.0713	0.0788
Schistosoma mansoni	hypothetical protein	0.0036	0.028	0.0271
Trichomonas vaginalis	CAMK family protein kinase	0.0117	0.1411	0.1335
Giardia lamblia	Kinase, CMGC DYRK	0.0505	0.6872	1
Echinococcus multilocularis	Cell division cycle 2 protein kinase	0.0117	0.1411	0.1411
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0126	0.015
Mycobacterium ulcerans	putative regulatory protein	0.0038	0.0308	1
Entamoeba histolytica	hypothetical protein	0.0112	0.135	0.1814
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0037	0.0032
Entamoeba histolytica	protein kinase domain containing protein	0.0117	0.1411	0.1905
Echinococcus multilocularis	serine:threonine protein kinase haspin	0.0649	0.8889	0.8889
Trichomonas vaginalis	CAMK family protein kinase	0.0117	0.1411	0.1335
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0713	0.0706
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0037	0.0032
Echinococcus granulosus	GPCR family 2	0.0017	0.0008	0.0008
Echinococcus multilocularis	tar DNA binding protein	0.0067	0.0713	0.0713
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0126	0.015
Brugia malayi	GSG2	0.0649	0.8889	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0037	0.0032
Trichomonas vaginalis	CAMK family protein kinase	0.0117	0.1411	0.1335
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0057	0.057	0.057
Echinococcus granulosus	polycomb protein SCMH1	0.005	0.0481	0.0481
Plasmodium vivax	mitochondrial import inner membrane translocase subunit TIM23, putative	0.0043	0.0375	0.2461
Trichomonas vaginalis	CAMK family protein kinase	0.0117	0.1411	0.1335
Trichomonas vaginalis	CAMK family protein kinase	0.0117	0.1411	0.1335
Echinococcus multilocularis	dual specificity	0.0505	0.6872	0.6872
Trichomonas vaginalis	CAMK family protein kinase	0.0117	0.1411	0.1335
Brugia malayi	acetyltransferase, GNAT family protein	0.0057	0.057	0.0632
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0713	0.0706
Trichomonas vaginalis	AGC family protein kinase	0.0117	0.1411	0.1335
Echinococcus multilocularis	GPCR, family 2	0.0017	0.0008	0.0008
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0126	0.3277
Trichomonas vaginalis	CAMK family protein kinase	0.0117	0.1411	0.1335
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0017	0.0008	0.0008
Loa Loa (eye worm)	TAR-binding protein	0.0067	0.0713	0.0788
Trichomonas vaginalis	CAMK family protein kinase	0.0117	0.1411	0.1335
Trichomonas vaginalis	AGC family protein kinase	0.0117	0.1411	0.1335
Trypanosoma brucei	dual specificity tyrosine-phosphorylation-regulated kinase 2, putative	0.0505	0.6872	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0126	0.0131
Trichomonas vaginalis	CMGC family protein kinase	0.0117	0.1411	0.1335
Toxoplasma gondii	cell-cycle-associated protein kinase DYRK2, putative	0.0505	0.6872	1
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.005	0.0481	1
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0057	0.057	0.0562
Trichomonas vaginalis	CAMK family protein kinase	0.0117	0.1411	0.1335
Trichomonas vaginalis	CAMK family protein kinase	0.0117	0.1411	0.1335
Echinococcus granulosus	Cell division cycle 2 protein kinase	0.0117	0.1411	0.1411
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0057	0.0579	0.0643
Schistosoma mansoni	CREB-binding protein 1 (SmCBP1)	0.0188	0.242	0.2414
Giardia lamblia	Kinase, CAMK CAMKL	0.0117	0.1411	0.1455
Trichomonas vaginalis	CMGC family protein kinase	0.0505	0.6872	1
Trichomonas vaginalis	CMGC family protein kinase	0.0505	0.6872	1
Schistosoma mansoni	hypothetical protein	0.0179	0.2285	0.2279
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0126	0.3277
Echinococcus granulosus	histone acetyltransferase KAT2B	0.005	0.0472	0.0472
Brugia malayi	Protein kinase domain containing protein	0.0117	0.1411	0.158
Echinococcus granulosus	serine:threonine protein kinase haspin	0.0649	0.8889	0.8889
Loa Loa (eye worm)	hypothetical protein	0.0036	0.028	0.0303
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0057	0.0579	0.0579
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0025	0.0126	0.3277
Trichomonas vaginalis	CAMK family protein kinase	0.0117	0.1411	0.1335
Loa Loa (eye worm)	hypothetical protein	0.0172	0.2193	0.2443
Echinococcus multilocularis	geminin	0.0179	0.2285	0.2285
Trichomonas vaginalis	CAMK family protein kinase	0.0117	0.1411	0.1335
Trichomonas vaginalis	CAMK family protein kinase	0.0117	0.1411	0.1335
Loa Loa (eye worm)	haspin protein kinase	0.0653	0.8951	1
Schistosoma mansoni	microtubule-associated protein tau	0.0728	1	1
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0126	0.0132
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0025	0.0126	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0126	0.0131
Onchocerca volvulus		0.005	0.0481	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (ADMET)	= 0	Toxicity against mouse L2 cells at 40 uM after 45 hrs	ChEMBL.	17977728
Activity (ADMET)	= 0.48	Toxicity against mouse L2 cells at 40 uM after 28 hrs	ChEMBL.	17977728
Activity (ADMET)	= 0.75	Toxicity against mouse L2 cells at 40 uM after 18 hrs	ChEMBL.	17977728
Activity (binding)	= 96	Activity of rabbit liver adenosine kinase relative to adenosine	ChEMBL.	17977728
Ki (binding)	= 0.27 uM	Inhibition of rabbit liver adenosine kinase	ChEMBL.	17977728
Km (binding)	= 12.5 uM	Activity of rabbit liver adenosine kinase	ChEMBL.	17977728
Vmax (binding)	= 3 microM/min	Activity of rabbit liver adenosine kinase	ChEMBL.	17977728

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.

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External resources for this compound

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 514256