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

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