TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 477.356 | Formula: C23H21BrN6O
H donors: 1 H acceptors: 4 LogP: 4.33 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CO[C@@H]1CCCN1c1ccc(cn1)c1nc2ncnc(c2c(c1)c1cccc(c1)Br)N
InChi: 1S/C23H21BrN6O/c1-31-20-6-3-9-30(20)19-8-7-15(12-26-19)18-11-17(14-4-2-5-16(24)10-14)21-22(25)27-13-28-23(21)29-18/h2,4-5,7-8,10-13,20H,3,6,9H2,1H3,(H2,25,27,28,29)/t20-/m1/s1
InChiKey: HAKVGTIAOSHOCH-HXUWFJFHSA-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
Trypanosoma cruzi	adenosine kinase, 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
Leishmania infantum	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
Trypanosoma brucei	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
Onchocerca volvulus		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
Leishmania major	adenosine kinase, putative	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
Echinococcus multilocularis	adenosine kinase	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 mexicana	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
Trypanosoma congolense	adenosine kinase, putative	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
Trypanosoma cruzi	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
Candida albicans	putative 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
Schistosoma mansoni	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
Echinococcus granulosus	adenosine kinase	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
Leishmania braziliensis	adenosine kinase, putative	Get druggable targets OG5_128398	All targets in OG5_128398
Babesia bovis	adenosine kinase	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
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0031	0.0077	0.0077
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0031	0.0077	0.0077
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0036	0.0097	0.0097
Trypanosoma brucei	adenosine kinase, putative	0.0105	0.0371	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0031	0.0077	0.0077
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0031	0.0077	0.0077
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0428	0.1658	1
Schistosoma mansoni	sodium-dependent amino acid transporter	0.0428	0.1658	0.1658
Brugia malayi	nuclear receptor NHR-88	0.0031	0.0077	0.0077
Loa Loa (eye worm)	hypothetical protein	0.0428	0.1658	0.1658
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0036	0.0097	0.0097
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0011	0.0011
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0031	0.0077	0.0077
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0077	0.0077
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0428	0.1658	0.1658
Echinococcus multilocularis	nuclear receptor nhr 48	0.0015	0.0011	0.0011
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.0428	0.1658	0.1658
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0031	0.0077	0.0077
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0428	0.1658	1
Loa Loa (eye worm)	DR-78	0.0015	0.0011	0.0011
Echinococcus granulosus	FTZ F1 alpha	0.0031	0.0077	0.0077
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0015	0.0011	0.0011
Loa Loa (eye worm)	nuclear hormone receptor	0.0015	0.0011	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0428	0.1658	0.1658
Brugia malayi	nuclear hormone receptor	0.0031	0.0077	0.0077
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0031	0.0077	0.0077
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0673	0.2633	0.2633
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0011	0.0011
Loa Loa (eye worm)	hypothetical protein	0.2521	1	1
Brugia malayi	hypothetical protein	0.0015	0.0011	0.0011
Entamoeba histolytica	kinase, PfkB family	0.0012	0	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0031	0.0077	0.0077
Schistosoma mansoni	nuclear receptor nhr-48	0.0015	0.0011	0.0011
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0031	0.0077	0.0077
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.2521	1	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0018	0.0018
Trypanosoma brucei	adenosine kinase, putative	0.0105	0.0371	1
Echinococcus granulosus	adenosine kinase	0.0105	0.0371	0.0371
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0017	0.0018	0.0018
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0428	0.1658	0.1658
Brugia malayi	Adenosine kinase-like	0.0105	0.0371	0.0371
Onchocerca volvulus	Protein ultraspiracle homolog	0.0031	0.0077	0.0077
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0428	0.1658	0.1658
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0428	0.1658	0.1658
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0015	0.0011	0.0011
Trypanosoma cruzi	adenosine kinase, putative	0.0105	0.0371	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0031	0.0077	0.0077
Loa Loa (eye worm)	hypothetical protein	0.0428	0.1658	0.1658
Brugia malayi	hypothetical protein	0.0428	0.1658	0.1658
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0015	0.0011	0.0011
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0017	0.0018	0.0018
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0077	0.0077
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0031	0.0077	0.0077
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0031	0.0077	0.0077
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0015	0.0011	0.0011
Echinococcus granulosus	serotonin transporter	0.2521	1	1
Schistosoma mansoni	sodium/chloride dependent transporter	0.0428	0.1658	0.1658
Echinococcus multilocularis	adenosine kinase	0.0105	0.0371	0.0371
Brugia malayi	hypothetical protein	0.0017	0.0018	0.0018
Brugia malayi	tailless protein	0.0015	0.0011	0.0011
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.0428	0.1658	0.5
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0428	0.1658	0.1658
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0017	0.0018	0.0018
Schistosoma mansoni	retinoic acid receptor RXR	0.0031	0.0077	0.0077
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0036	0.0097	0.0097
Schistosoma mansoni	voltage-gated potassium channel	0.004	0.011	0.011
Onchocerca volvulus		0.0015	0.0011	0.0011
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0428	0.1658	0.1658
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0428	0.1658	0.1658
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0031	0.0077	0.0077
Mycobacterium leprae	Probable adenosine kinase adk	0.0012	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0658	0.2575	0.2575
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0031	0.0077	0.0077
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0031	0.0077	0.0077
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0428	0.1658	0.1658
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0018	0.0018
Schistosoma mansoni	nuclear receptor	0.0015	0.0011	0.0011
Echinococcus multilocularis	ecdysone induced protein 78C	0.0031	0.0077	0.0077
Loa Loa (eye worm)	serotonin transporter b	0.2521	1	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0031	0.0077	0.0077
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0428	0.1658	0.1658
Loa Loa (eye worm)	hypothetical protein	0.0428	0.1658	0.1658
Mycobacterium tuberculosis	6-phosphofructokinase PfkB (phosphohexokinase) (phosphofructokinase)	0.0012	0	0.5
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.0428	0.1658	0.1658
Toxoplasma gondii	hypothetical protein	0.0428	0.1658	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0011	0.0011
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0031	0.0077	0.0077
Loa Loa (eye worm)	hypothetical protein	0.0105	0.0371	0.0371
Brugia malayi	Nuclear hormone receptor-like 1	0.0017	0.0018	0.0018
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0077	0.0077
Onchocerca volvulus		0.0428	0.1658	0.1658
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0428	0.1658	1
Echinococcus granulosus	nuclear receptor nhr 48	0.0015	0.0011	0.0011
Brugia malayi	steroid hormone receptor	0.0031	0.0077	0.0077
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0011	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0011	0.0011
Onchocerca volvulus		0.2521	1	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0031	0.0077	0.0077
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0031	0.0077	0.0077
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0031	0.0077	0.0077
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0078	0.0078
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0031	0.0077	0.0077
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0031	0.0077	0.0077
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.0428	0.1658	0.1658
Loa Loa (eye worm)	steroid hormone receptor	0.0031	0.0077	0.0077
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0015	0.0011	0.0011
Echinococcus granulosus	ecdysone induced protein 78C	0.0031	0.0077	0.0077
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0011	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0011	0.0011
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0015	0.0011	0.0011
Schistosoma mansoni	sodium/chloride dependent transporter	0.0428	0.1658	0.1658
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0031	0.0077	0.0077
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0017	0.0018	0.0018
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0428	0.1658	0.1658
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0018	0.0018
Entamoeba histolytica	tagatose-6-phosphate kinase, putative	0.0012	0	0.5
Brugia malayi	photoreceptor-specific nuclear receptor	0.0031	0.0077	0.0077
Brugia malayi	nuclear receptor RXR	0.0015	0.0011	0.0011
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0015	0.0011	0.0011
Treponema pallidum	sodium- and chloride- dependent transporter	0.2521	1	0.5
Brugia malayi	Steroid receptor seven-up type 2	0.0031	0.0077	0.0077
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0015	0.0011	0.0011
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0428	0.1658	0.1658
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0031	0.0077	0.0077
Entamoeba histolytica	Hypothetical protein T24C12.3, putative	0.0012	0	0.5
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0036	0.0097	0.0097
Entamoeba histolytica	ribokinase, putative	0.0012	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0428	0.1658	0.1658
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0689	0.2699	0.2699
Toxoplasma gondii	hypothetical protein	0.0428	0.1658	1
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0428	0.1658	0.1658
Onchocerca volvulus		0.0093	0.0323	0.0323
Brugia malayi	nuclear receptor RXR	0.0017	0.0018	0.0018
Schistosoma mansoni	RAR-like nuclear receptor	0.0031	0.0077	0.0077
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0031	0.0077	0.0077
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0015	0.0011	0.0011
Brugia malayi	nuclear hormone receptor family member odr-7	0.0015	0.0011	0.0011
Entamoeba histolytica	fructokinase, putative	0.0012	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0077	0.0077
Brugia malayi	ecdysteroid receptor	0.0031	0.0077	0.0077
Echinococcus granulosus	sodium and chloride dependent glycine	0.0428	0.1658	0.1658
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0011	0.0011
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0015	0.0011	0.0011
Mycobacterium tuberculosis	Adenosine kinase	0.0012	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0018	0.0018
Onchocerca volvulus		0.0015	0.0011	0.0011
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0428	0.1658	0.1658
Plasmodium falciparum	amino acid transporter, putative	0.0428	0.1658	0.5
Schistosoma mansoni	adenosine kinase	0.0105	0.0371	0.0371
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0031	0.0077	0.0077
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0031	0.0077	0.0077
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0031	0.0077	0.0077
Schistosoma mansoni	voltage-gated potassium channel	0.004	0.011	0.011
Toxoplasma gondii	kinase, pfkB family protein	0.0105	0.0371	0.2239
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0077	0.0077
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0428	0.1658	0.1658
Leishmania major	adenosine kinase, putative	0.0105	0.0371	1
Brugia malayi	hypothetical protein	0.0017	0.0018	0.0018
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0031	0.0077	0.0077
Schistosoma mansoni	nuclear hormone receptor	0.0015	0.0011	0.0011
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.0428	0.1658	0.1658
Trypanosoma cruzi	adenosine kinase, putative	0.0105	0.0371	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0031	0.0077	0.0077
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0031	0.0077	0.0077
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0015	0.0011	0.0011
Schistosoma mansoni	adenosine kinase	0.0105	0.0371	0.0371
Brugia malayi	Nuclear hormone receptor E75	0.0015	0.0011	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0428	0.1658	0.1658
Loa Loa (eye worm)	norepinephrine transporter	0.2521	1	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0011	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0011	0.0011
Brugia malayi	Nuclear hormone receptor E75	0.0015	0.0011	0.0011
Brugia malayi	ecdysone receptor	0.0015	0.0011	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0011	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0011	0.0011
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0017	0.0018	0.0018
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0428	0.1658	0.1658
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0031	0.0077	0.0077
Mycobacterium ulcerans	fructokinase, PfkB	0.0012	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0428	0.1658	0.1658
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.0428	0.1658	0.1658
Loa Loa (eye worm)	hypothetical protein	0.2521	1	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0031	0.0077	0.0077
Brugia malayi	nuclear receptor NHR-88	0.0015	0.0011	0.0011
Brugia malayi	nuclear receptor NHR-67	0.0015	0.0011	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0011	0.0011
Schistosoma mansoni	thyroid hormone receptor	0.0031	0.0077	0.0077
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.0428	0.1658	0.1658
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0015	0.0011	0.0011
Plasmodium vivax	hypothetical protein, conserved	0.0428	0.1658	0.5
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0034	0.0087	1
Schistosoma mansoni	coup transcription factor	0.0031	0.0077	0.0077
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0031	0.0077	0.0077
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0031	0.0077	0.0077
Schistosoma mansoni	nuclear hormone receptor	0.0015	0.0011	0.0011
Loa Loa (eye worm)	hypothetical protein	0.2521	1	1
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0428	0.1658	0.1658
Mycobacterium tuberculosis	Ribokinase RbsK	0.0012	0	0.5
Brugia malayi	Nuclear hormone receptor-like 1	0.0017	0.0018	0.0018
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0015	0.0011	0.0011
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0031	0.0077	0.0077
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0077	0.0077
Echinococcus granulosus	thyroid hormone receptor alpha	0.0015	0.0011	0.0011
Schistosoma mansoni	thyroid hormone receptor	0.0031	0.0077	0.0077
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0015	0.0011	0.0011
Echinococcus multilocularis	FTZ F1 alpha	0.0031	0.0077	0.0077
Plasmodium vivax	amine transporter, putative	0.0428	0.1658	0.5
Brugia malayi	orphan nuclear receptor NR2E1	0.0015	0.0011	0.0011
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0015	0.0011	0.0011
Echinococcus multilocularis	serotonin transporter	0.2521	1	1
Giardia lamblia	Ribokinase	0.0012	0	0.5
Schistosoma mansoni	nuclear hormone receptor	0.0031	0.0077	0.0077
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0077	0.0077
Brugia malayi	hypothetical protein	0.0015	0.0011	0.0011
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0031	0.0077	0.0077
Onchocerca volvulus		0.0428	0.1658	0.1658
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0031	0.0077	0.0077
Schistosoma mansoni	sodium/chloride dependent transporter	0.2521	1	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0031	0.0077	0.0077
Mycobacterium ulcerans	carbohydrate kinase CbhK	0.0012	0	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0031	0.0077	0.0077
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0034	0.0087	1
Onchocerca volvulus		0.0428	0.1658	0.1658
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0018	0.0018
Schistosoma mansoni	nuclear receptor	0.0015	0.0011	0.0011
Onchocerca volvulus	Bile acid receptor homolog	0.0031	0.0077	0.0077
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0015	0.0011	0.0011
Brugia malayi	nuclear hormone receptor	0.0673	0.2633	0.2633
Loa Loa (eye worm)	solute carrier family 6 member 4	0.2521	1	1
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0428	0.1658	0.1658
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0077	0.0077
Echinococcus granulosus	sodium and chloride dependent glycine	0.0428	0.1658	0.1658
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0031	0.0077	0.0077
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0031	0.0077	0.0077
Plasmodium falciparum	transporter, putative	0.0428	0.1658	0.5
Brugia malayi	conserved hypotetical protein	0.0015	0.0011	0.0011
Onchocerca volvulus		0.0031	0.0077	0.0077
Schistosoma mansoni	zinc finger protein	0.0015	0.0011	0.0011

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	0 uM kg-1	In vivo effective dose required to reduce carrageenan-induced thermal hyperalgesia in the rat administered p.o.; Not determined	ChEMBL.	11514141
ED50 (functional)	= 6 uM kg-1	In vivo effective dose required to reduce carrageenan-induced thermal hyperalgesia in the rat administered intraperitoneally	ChEMBL.	11514141
F (ADMET)	= 0 %	Bioavailability in rat (dose 5 microM/kg p.o.)	ChEMBL.	11514141
F (ADMET)	ND 0 %	Oral bioavailability in dog (dose 5 microM/kg)	ChEMBL.	11514141
IC50 (binding)	= 4.12 nM	In vitro concentration required for 50% inhibition against Adenosine Kinase (AK) in the presence of enzyme	ChEMBL.	11514141
IC50 (binding)	= 4.12 nM	In vitro concentration required for 50% inhibition against Adenosine Kinase (AK) in the presence of enzyme	ChEMBL.	11514141
IC50 (binding)	= 37.7 nM	In vitro concentration required for 50% inhibition against Adenosine Kinase (AK) in the presence of intact cells	ChEMBL.	11514141
IC50 (binding)	= 37.7 nM	In vitro concentration required for 50% inhibition against Adenosine Kinase (AK) in the presence of intact cells	ChEMBL.	11514141
T1/2 (ADMET)	nf 0 hr	Half life of the compound was determined in rat after po administration of the compound; nf:unable to estimate plasma elimination half life	ChEMBL.	11514141
T1/2 (ADMET)	0 hr	Half life of the compound was determined in dog after intra venous administration of the compound; ND means Not determined	ChEMBL.	11514141
T1/2 (ADMET)	0 hr	Half life of the compound was determined in dog after po administration of the compound; ND means Not determined	ChEMBL.	11514141
T1/2 (ADMET)	= 0.28 hr	Half life of the compound was determined in rat after intravenous administration of the compound	ChEMBL.	11514141

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

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

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

External resources for this compound

ChEMBL: CHEMBL62342

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 103583