TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 348.377 | Formula: C15H16N4O4S
H donors: 4 H acceptors: 5 LogP: 0 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cc(c2c1ncnc2N)c1cccs1
InChi: 1S/C15H16N4O4S/c16-13-10-7(9-2-1-3-24-9)4-19(14(10)18-6-17-13)15-12(22)11(21)8(5-20)23-15/h1-4,6,8,11-12,15,20-22H,5H2,(H2,16,17,18)/t8-,11-,12-,15-/m1/s1
InChiKey: NDCVWNGSVILVCE-PMXXHBEXSA-N

Network

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Target Layer

Model Organisms

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

TDR Pathogens:

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

Other Pathogens:

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

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	adenosine kinase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Onchocerca volvulus		Get druggable targets OG5_128398	All targets in OG5_128398
Trypanosoma congolense	adenosine kinase, putative	Get druggable targets OG5_128398	All targets in OG5_128398
Schistosoma mansoni	adenosine kinase	Get druggable targets OG5_128398	All targets in OG5_128398
Brugia malayi	Adenosine kinase-like	Get druggable targets OG5_128398	All targets in OG5_128398
Babesia bovis	adenosine kinase	Get druggable targets OG5_128398	All targets in OG5_128398
Echinococcus multilocularis	adenosine kinase	Get druggable targets OG5_128398	All targets in OG5_128398
Toxoplasma gondii	kinase, pfkB family protein	Get druggable targets OG5_128398	All targets in OG5_128398
Trypanosoma brucei gambiense	adenosine kinase, putative	Get druggable targets OG5_128398	All targets in OG5_128398
Leishmania major	adenosine kinase, putative	Get druggable targets OG5_128398	All targets in OG5_128398
Trypanosoma brucei	adenosine kinase, putative	Get druggable targets OG5_128398	All targets in OG5_128398
Echinococcus granulosus	adenosine kinase	Get druggable targets OG5_128398	All targets in OG5_128398
Candida albicans	adenosine kinase	Get druggable targets OG5_128398	All targets in OG5_128398
Candida albicans	putative adenosine kinase	Get druggable targets OG5_128398	All targets in OG5_128398
Trypanosoma brucei	adenosine kinase, putative	Get druggable targets OG5_128398	All targets in OG5_128398
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128398	All targets in OG5_128398
Leishmania braziliensis	adenosine kinase, putative	Get druggable targets OG5_128398	All targets in OG5_128398
Trypanosoma brucei gambiense	adenosine kinase, putative	Get druggable targets OG5_128398	All targets in OG5_128398
Leishmania infantum	adenosine kinase, putative	Get druggable targets OG5_128398	All targets in OG5_128398
Leishmania donovani	adenosine kinase, putative	Get druggable targets OG5_128398	All targets in OG5_128398
Schistosoma mansoni	adenosine kinase	Get druggable targets OG5_128398	All targets in OG5_128398
Trypanosoma cruzi	adenosine kinase, putative	Get druggable targets OG5_128398	All targets in OG5_128398
Trypanosoma cruzi	adenosine kinase, putative	Get druggable targets OG5_128398	All targets in OG5_128398
Leishmania mexicana	adenosine kinase, putative	Get druggable targets OG5_128398	All targets in OG5_128398
Cryptosporidium parvum	adenosine kinase like ribokinase	Get druggable targets OG5_128398	All targets in OG5_128398
Schistosoma japonicum	ko:K00856 adenosine kinase [EC2.7.1.20], putative	Get druggable targets OG5_128398	All targets in OG5_128398
Neospora caninum	GG10762, related	Get druggable targets OG5_128398	All targets in OG5_128398

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma cruzi	adenosine kinase, putative	adenosine kinase	345 aa	337 aa	35.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0035	0.0327	0.0327
Trypanosoma cruzi	cytochrome P450, putative	0.0049	0.0898	0.2648
Schistosoma mansoni	cytochrome P450	0.0029	0.0071	0.0139
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0034	0.0277	0.0277
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0327	0.0327
Loa Loa (eye worm)	LGC-31 protein	0.0034	0.0277	0.0277
Mycobacterium tuberculosis	Probable esterase LipL	0.0032	0.0226	0.0213
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0277	0.0277
Onchocerca volvulus		0.0035	0.0327	0.0327
Mycobacterium ulcerans	esterase/lipase LipP	0.0032	0.0226	0.1873
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0277	0.0277
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0226	0.0226
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0226	0.0226
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0034	0.0277	0.0541
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0034	0.0277	0.0277
Onchocerca volvulus	Putative nachr subunit	0.0097	0.2876	0.2876
Leishmania major	cytochrome p450-like protein	0.0049	0.0898	0.2648
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0035	0.0327	0.0327
Mycobacterium tuberculosis	Probable lipase LipE	0.0032	0.0226	0.0213
Trypanosoma cruzi	hypothetical protein, conserved	0.0032	0.0226	0.0496
Brugia malayi	cytochrome P450	0.0029	0.0071	0.0071
Toxoplasma gondii	kinase, pfkB family protein	0.0105	0.3194	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0035	0.0327	0.0327
Loa Loa (eye worm)	steroid hormone receptor	0.0035	0.0327	0.0327
Loa Loa (eye worm)	cytochrome P450 family protein	0.0049	0.0898	0.0898
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0327	0.0327
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0034	0.0277	0.0541
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0277	0.0277
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0032	0.0226	0.0441
Echinococcus granulosus	adenosine kinase	0.0105	0.3194	0.6232
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0035	0.0327	0.0327
Onchocerca volvulus		0.0097	0.2876	0.2876
Trypanosoma cruzi	adenosine kinase, putative	0.0105	0.3194	1
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0097	0.2876	0.5611
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0035	0.0327	0.0327
Onchocerca volvulus		0.0034	0.0277	0.0277
Onchocerca volvulus		0.0272	1	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0035	0.0327	0.0638
Trypanosoma cruzi	adenosine kinase, putative	0.0105	0.3194	1
Schistosoma mansoni	nAChR subunit	0.0034	0.0277	0.0541
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0035	0.0327	0.0638
Echinococcus multilocularis	glycine receptor subunit beta	0.0034	0.0277	0.0541
Mycobacterium tuberculosis	Conserved protein	0.0032	0.0226	0.0213
Echinococcus granulosus	cytochrome P450 2K1	0.0029	0.0071	0.0139
Schistosoma mansoni	nAChR subunit	0.0034	0.0277	0.0541
Loa Loa (eye worm)	CYP4Cod1	0.0049	0.0898	0.0898
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0035	0.0327	0.0638
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0187	0.6545	0.6545
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0034	0.0277	0.0541
Trichomonas vaginalis	set domain proteins, putative	0.0213	0.7601	1
Schistosoma mansoni	nuclear hormone receptor	0.0035	0.0327	0.0638
Schistosoma mansoni	hypothetical protein	0.0029	0.0071	0.0139
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0097	0.2876	0.5611
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0035	0.0327	0.0327
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0035	0.0327	0.0327
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0034	0.0277	0.0541
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0277	0.0277
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0035	0.0327	0.0638
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0032	0.0226	0.0441
Brugia malayi	Nuclear hormone receptor-like 1	0.0035	0.0327	0.0327
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0034	0.0277	0.0541
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0226	0.0226
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0035	0.0327	0.0638
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0032	0.0226	0.0441
Schistosoma mansoni	coup transcription factor	0.0035	0.0327	0.0638
Schistosoma mansoni	thyroid hormone receptor	0.0035	0.0327	0.0638
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0035	0.0327	0.0638
Onchocerca volvulus		0.0034	0.0277	0.0277
Brugia malayi	Cation transporter family protein	0.0034	0.0277	0.0277
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0277	0.0277
Schistosoma mansoni	thyroid hormone receptor	0.0035	0.0327	0.0638
Schistosoma mansoni	nAChR subunit	0.0034	0.0277	0.0541
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0035	0.0327	0.0638
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0034	0.0277	0.0277
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0032	0.0226	0.0226
Brugia malayi	beta-lactamase family protein	0.0032	0.0226	0.0226
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0032	0.0226	0.0213
Loa Loa (eye worm)	hypothetical protein	0.0105	0.3194	0.3194
Echinococcus granulosus	glycine receptor subunit beta	0.0034	0.0277	0.0541
Echinococcus multilocularis	adenosine kinase	0.0105	0.3194	0.6232
Loa Loa (eye worm)	ACC-1 protein	0.0034	0.0277	0.0277
Brugia malayi	Cytochrome P450 family protein	0.0049	0.0898	0.0898
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0034	0.0277	0.0277
Brugia malayi	Cytochrome P450 family protein	0.0029	0.0071	0.0071
Brugia malayi	photoreceptor-specific nuclear receptor	0.0035	0.0327	0.0327
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0034	0.0277	0.0277
Schistosoma mansoni	hypothetical protein	0.0152	0.5125	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0035	0.0327	0.0327
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0035	0.0327	0.0638
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0035	0.0327	0.0638
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0035	0.0327	0.0638
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0035	0.0327	0.0327
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0034	0.0277	0.0541
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0034	0.0277	0.0277
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0034	0.0277	0.0277
Echinococcus multilocularis	glycine receptor subunit beta	0.0034	0.0277	0.0541
Loa Loa (eye worm)	beta-lactamase	0.0032	0.0226	0.0226
Echinococcus multilocularis	ecdysone induced protein 78C	0.0035	0.0327	0.0638
Mycobacterium leprae	Probable lipase LipE	0.0032	0.0226	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0035	0.0327	0.0638
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0035	0.0327	0.0638
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0277	0.0277
Onchocerca volvulus		0.0093	0.2705	0.2705
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0035	0.0327	0.0327
Echinococcus multilocularis	geminin	0.0152	0.5125	1
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0032	0.0226	0.0213
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0034	0.0277	0.0277
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0034	0.0277	0.0277
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0226	0.0226
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0035	0.0327	0.0327
Schistosoma mansoni	hypothetical protein	0.0152	0.5125	1
Leishmania major	adenosine kinase, putative	0.0105	0.3194	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0035	0.0327	0.0638
Echinococcus granulosus	nAChR subunit	0.0034	0.0277	0.0541
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0035	0.0327	0.0327
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0034	0.0277	0.0277
Mycobacterium ulcerans	hypothetical protein	0.0032	0.0226	0.1873
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0034	0.0277	0.0277
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0035	0.0327	0.0327
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0097	0.2876	0.5611
Onchocerca volvulus		0.0032	0.0226	0.0226
Loa Loa (eye worm)	cytochrome P450 family protein	0.0139	0.4562	0.4562
Brugia malayi	ecdysteroid receptor	0.0035	0.0327	0.0327
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0034	0.0277	0.0277
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0035	0.0327	0.0327
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0035	0.0327	0.0327
Schistosoma mansoni	adenosine kinase	0.0105	0.3194	0.6232
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0035	0.0327	0.0327
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0035	0.0327	0.0638
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0032	0.0226	0.0226
Mycobacterium leprae	conserved hypothetical protein	0.0032	0.0226	1
Onchocerca volvulus		0.0032	0.0226	0.0226
Loa Loa (eye worm)	cytochrome P450 family protein	0.0049	0.0898	0.0898
Brugia malayi	steroid hormone receptor	0.0035	0.0327	0.0327
Brugia malayi	Steroid receptor seven-up type 2	0.0035	0.0327	0.0327
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0035	0.0327	0.0638
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0097	0.2876	0.5611
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0327	0.0327
Onchocerca volvulus	Protein ultraspiracle homolog	0.0035	0.0327	0.0327
Onchocerca volvulus	Bile acid receptor homolog	0.0035	0.0327	0.0327
Brugia malayi	Cation transporter family protein	0.0097	0.2876	0.2876
Onchocerca volvulus		0.0097	0.2876	0.2876
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0034	0.0277	0.0541
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0034	0.0277	0.0541
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0034	0.0277	0.0541
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0034	0.0277	0.0277
Loa Loa (eye worm)	hypothetical protein	0.0082	0.2242	0.2242
Schistosoma mansoni	nAChR subunit	0.0034	0.0277	0.0541
Brugia malayi	Cytochrome P450 family protein	0.0139	0.4562	0.4562
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0277	0.0277
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0327	0.0327
Trypanosoma brucei	hypothetical protein, conserved	0.0032	0.0226	0.0496
Onchocerca volvulus		0.0034	0.0277	0.0277
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0035	0.0327	0.0327
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0207	0.735	1
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0034	0.0277	0.0541
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0035	0.0327	0.0638
Trypanosoma cruzi	hypothetical protein, conserved	0.0032	0.0226	0.0496
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0029	0.0071	0.0222
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0034	0.0277	0.0277
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0035	0.0327	0.0327
Mycobacterium tuberculosis	Probable lipase LipD	0.0032	0.0226	0.0213
Onchocerca volvulus		0.0097	0.2876	0.2876
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0034	0.0277	0.0277
Brugia malayi	Pre-SET motif family protein	0.0187	0.6545	0.6545
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0034	0.0277	0.0541
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0034	0.0277	0.0277
Trypanosoma brucei	cytochrome P450, putative	0.0049	0.0898	0.2648
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0035	0.0327	0.0638
Echinococcus multilocularis	FTZ F1 alpha	0.0035	0.0327	0.0638
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0035	0.0327	0.0638
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0034	0.0277	0.0541
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0327	0.0327
Echinococcus multilocularis		0.0029	0.0071	0.0139
Echinococcus granulosus	beta LACTamase domain containing family member	0.0032	0.0226	0.0441
Loa Loa (eye worm)	hypothetical protein	0.0097	0.2876	0.2876
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0034	0.0277	0.0277
Brugia malayi	nuclear receptor NHR-88	0.0035	0.0327	0.0327
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0034	0.0277	0.0541
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0327	0.0327
Schistosoma mansoni	nAChR subunit	0.0034	0.0277	0.0541
Brugia malayi	Adenosine kinase-like	0.0105	0.3194	0.3194
Loa Loa (eye worm)	cytochrome P450	0.0029	0.0071	0.0071
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0035	0.0327	0.0638
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0035	0.0327	0.0327
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0034	0.0277	0.0541
Toxoplasma gondii	ABC1 family protein	0.0032	0.0226	0.0707
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0277	0.0277
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0226	0.0226
Leishmania major	hypothetical protein, conserved	0.0032	0.0226	0.0496
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0277	0.0277
Schistosoma mansoni	adenosine kinase	0.0105	0.3194	0.6232
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0277	0.0277
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0049	0.0898	1
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0097	0.2876	0.5611
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0034	0.0277	0.0541
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0035	0.0327	0.0327
Brugia malayi	Cation transporter family protein	0.0034	0.0277	0.0277
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0327	0.0327
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0035	0.0327	0.0638
Mycobacterium tuberculosis	Conserved protein	0.0032	0.0226	0.0213
Echinococcus granulosus	FTZ F1 alpha	0.0035	0.0327	0.0638
Trypanosoma brucei	adenosine kinase, putative	0.0105	0.3194	1
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0097	0.2876	0.2876
Loa Loa (eye worm)	ACC-1 protein	0.0034	0.0277	0.0277
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0277	0.0277
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0034	0.0277	0.0277
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0034	0.0277	0.0541
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0035	0.0327	0.0638
Echinococcus multilocularis	nAChR subunit	0.0034	0.0277	0.0541
Brugia malayi	beta-lactamase	0.0032	0.0226	0.0226
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0034	0.0277	0.0277
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0277	0.0277
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0277	0.0277
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0097	0.2876	0.5611
Mycobacterium tuberculosis	Conserved protein	0.0032	0.0226	0.0213
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0032	0.0226	0.1873
Echinococcus granulosus	geminin	0.0152	0.5125	1
Trypanosoma brucei	adenosine kinase, putative	0.0105	0.3194	1
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0034	0.0277	0.0541
Trypanosoma cruzi	cytochrome P450, putative	0.0049	0.0898	0.2648
Onchocerca volvulus		0.0213	0.7601	0.7601
Brugia malayi	excitatory GABA receptor EXP-1A	0.0034	0.0277	0.0277
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0097	0.2876	0.2876
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0034	0.0277	0.0541
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0035	0.0327	0.0327
Schistosoma mansoni	nAChR subunit	0.0034	0.0277	0.0541
Echinococcus granulosus	glycine receptor subunit beta	0.0034	0.0277	0.0541
Brugia malayi	Cytochrome P450 family protein	0.0049	0.0898	0.0898
Mycobacterium ulcerans	lipase LipD	0.0032	0.0226	0.1873
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0035	0.0327	0.0638
Schistosoma mansoni	nAChR subunit	0.0034	0.0277	0.0541
Brugia malayi	nuclear hormone receptor	0.0035	0.0327	0.0327
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0097	0.2876	0.5611
Brugia malayi	beta-lactamase family protein	0.0032	0.0226	0.0226
Mycobacterium ulcerans	beta-lactamase	0.0032	0.0226	0.1873
Loa Loa (eye worm)	hypothetical protein	0.0272	1	1
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0034	0.0277	0.0277
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0226	0.0226
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0034	0.0277	0.0541
Echinococcus granulosus	ecdysone induced protein 78C	0.0035	0.0327	0.0638
Loa Loa (eye worm)	hypothetical protein	0.0097	0.2876	0.2876
Mycobacterium tuberculosis	Probable hydrolase	0.0032	0.0226	0.0213
Loa Loa (eye worm)	hypothetical protein	0.0097	0.2876	0.2876
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0327	0.0327
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0277	0.0277
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0032	0.0226	0.0213
Plasmodium vivax	hypothetical protein, conserved	0.0032	0.0226	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0277	0.0277
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0097	0.2876	0.5611
Onchocerca volvulus		0.0032	0.0226	0.0226
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0277	0.0277
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0035	0.0327	0.0638

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)		Antibacterial activity against Escherichia coli CCM 3954 after 24 hrs	ChEMBL.	24397620
Activity (functional)		Antifungal activity against Candida albicans after 48 hrs	ChEMBL.	24397620
Activity (functional)		Antibacterial activity against multi-resistant Escherichia coli C/16702 after 24 hrs	ChEMBL.	24397620
Activity (binding)	= 2 %	Activity of human ADK expressed in Escherichia coli BL21(DE3) cells assessed as compound phosphorylation by measuring conversion of compound to 5'-phosphate	ChEMBL.	25259627
CC50 (functional)	= 39.4 uM	Cytotoxicity against human MRC5 cells by MTT assay	ChEMBL.	25259627
GI50 (functional)	= 0.0026 uM	Cytostatic activity against human HCT116 cells after 5 days by SRB assay	ChEMBL.	21711054
GI50 (functional)	= 0.0037 uM	Cytostatic activity against human NCI-H23 cells after 5 days by SRB assay	ChEMBL.	21711054
GI50 (functional)	= 0.007 uM	Cytostatic activity against human A549 cells after 5 days by SRB assay	ChEMBL.	21711054
GI50 (functional)	= 0.011 uM	Cytostatic activity against human HCT15 cells after 5 days by SRB assay	ChEMBL.	21711054
GI50 (functional)	= 0.035 uM	Cytostatic activity against human MT4 cells after 5 days by SRB assay	ChEMBL.	21711054
GI50 (functional)	= 0.133 uM	Cytostatic activity against human DU145 cells after 5 days by SRB assay	ChEMBL.	21711054
GI50 (functional)	= 1.62 uM	Cytostatic activity against human PC3 cells after 5 days by SRB assay	ChEMBL.	21711054
IC50 (functional)	= 0.018 uM	Cytotoxicity against human LNCAP cells after 3 days by MTT assay	ChEMBL.	21711054
IC50 (functional)	= 0.025 uM	Cytotoxicity against human K562 cells after 3 days by MTT assay	ChEMBL.	21711054
IC50 (functional)	= 0.026 uM	Cytotoxicity against human MDA-MB-231 cells after 3 days by MTT assay	ChEMBL.	21711054
IC50 (functional)	= 0.033 uM	Cytotoxicity against human HeLa cells after 3 days by MTT assay	ChEMBL.	21711054
IC50 (functional)	= 0.047 uM	Cytotoxicity against human paclitaxel resistant K562 cells after 3 days by MTT assay	ChEMBL.	21711054
IC50 (functional)	= 0.05 uM	Cytotoxicity against human CCRF-CEM cells after 3 days by XTT assay	ChEMBL.	21711054
IC50 (functional)	= 0.06 uM	Cytotoxicity against human HCT116 cells after 3 days by MTT assay	ChEMBL.	21711054
IC50 (functional)	= 0.07 uM	Cytotoxicity against human HPAC cells after 3 days by MTT assay	ChEMBL.	21711054
IC50 (functional)	= 0.096 uM	Cytotoxicity against human HT-29 cells after 3 days by MTT assay	ChEMBL.	21711054
IC50 (functional)	= 0.105 uM	Cytotoxicity against human BV173 cells after 3 days by MTT assay	ChEMBL.	21711054
IC50 (functional)	= 0.115 uM	Cytotoxicity against mouse L1210 cells after 3 days by MTT assay	ChEMBL.	21711054
IC50 (functional)	= 0.119 uM	Cytotoxicity against human BT549 cells after 3 days by MTT assay	ChEMBL.	21711054
IC50 (functional)	= 0.124 uM	Cytotoxicity against mouse CT26 cells after 3 days by MTT assay	ChEMBL.	21711054
IC50 (functional)	= 0.528 uM	Cytotoxicity against human MCF7 cells after 3 days by MTT assay	ChEMBL.	21711054
IC50 (functional)	= 0.95 uM	Cytotoxicity against human HL60 cells after 3 days by XTT assay	ChEMBL.	21711054
IC50 (functional)	= 0.95 uM	Antiproliferative activity against human HL60 cells after 72 hrs by XTT assay	ChEMBL.	24397620
IC50 (functional)	= 1.98 uM	Cytotoxicity against human SK-MEL-2 cells after 3 days by MTT assay	ChEMBL.	21711054
IC50 (binding)	> 5 uM	Inhibition of human ADK using [3H]-adenosine by scintillation counting	ChEMBL.	21711054
IC50 (binding)	> 5 uM	Inhibition of human ADK expressed in Escherichia coli BL21(DE3) cells using [3H]adenosine by liquid scintillation counting method	ChEMBL.	25259627
IC50 (functional)	= 8.73 uM	Cytotoxicity against human PC3 cells after 3 days by MTT assay	ChEMBL.	21711054
IC50 (functional)	= 9.3 uM	Cytotoxicity against mouse EL4 cells after 3 days by MTT assay	ChEMBL.	21711054
IC50 (ADMET)	= 9.85 uM	Cytotoxicity against human BJ cells after 3 days by MTT assay	ChEMBL.	21711054
IC50 (functional)	> 10 uM	Cytotoxicity against human SK-N-AS cells after 3 days by MTT assay	ChEMBL.	21711054
IC50 (functional)	> 10 uM	Cytotoxicity against human SKOV3 cells after 3 days by MTT assay	ChEMBL.	21711054
IC50 (ADMET)	= 65.6 uM	Cytostatic activity against human BJ cells after 72 hrs by MTT assay	ChEMBL.	24397620
MIC (functional)	= 8 uM	Antimycobacterial activity against multidrug resistant Mycobacterium tuberculosis Praha 131 assessed as microbial growth inhibition incubated for 14 days	ChEMBL.	25259627
Stability (ADMET)	= 0.53 pmol	Metabolic stability in human DU145 cells assessed as sodium ((2R,3S,4R,5R)-5-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl hydrogentriphosphate-NTP formation per million of cells at 10 uM after 6 hrs by LC/MS/MS analysis	ChEMBL.	21711054
Stability (ADMET)	= 1.96 pmol	Metabolic stability in human DU145 cells assessed as sodium ((2R,3S,4R,5R)-5-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl hydrogentriphosphate-NTP formation per million of cells at 10 uM after 24 hrs by LC/MS/MS analysis	ChEMBL.	21711054
Stability (ADMET)	= 4.66 pmol	Metabolic stability in human DU145 cells assessed as nucleoside formation per million of cells at 10 uM after 6 hrs by LC/MS/MS analysis	ChEMBL.	21711054
Stability (ADMET)	= 5.04 pmol	Metabolic stability in human DU145 cells assessed as sodium ((2R,3S,4R,5R)-5-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl hydrogenphosphate-NMP formation per million of cells at 10 uM after 6 hrs by LC/MS/MS analysis	ChEMBL.	21711054
Stability (ADMET)	= 30.4 pmol	Metabolic stability in human DU145 cells assessed as nucleoside formation per million of cells at 10 uM after 24 hrs by LC/MS/MS analysis	ChEMBL.	21711054
Stability (ADMET)	= 64 pmol	Metabolic stability in human DU145 cells assessed as sodium ((2R,3S,4R,5R)-5-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl hydrogenphosphate-NMP formation per million of cells at 10 uM after 24 hrs by LC/MS/MS analysis	ChEMBL.	21711054

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	21711054
Mus musculus	ChEMBL23	21711054

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

ChEMBL: CHEMBL1814768

Bibliographic References

2 literature references were collected for this gene.

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Detailed information for compound 1081356