TDR Targets

Basic information

Technical information

TDR Targets ID: 522991
Name: N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfu ran-2-yl)pyrimidin-4-yl]-2-(4-methyl-1,4-diaz epan-1-yl)acetamide
MW: 423.511 | Formula: C22H29N7O2
H donors: 1 H acceptors: 4 LogP: 2.22 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CN1CCCN(CC1)CC(=O)Nc1nc(nc(c1)n1nc(cc1C)C)c1ccc(o1)C
InChi: 1S/C22H29N7O2/c1-15-12-16(2)29(26-15)20-13-19(24-22(25-20)18-7-6-17(3)31-18)23-21(30)14-28-9-5-8-27(4)10-11-28/h6-7,12-13H,5,8-11,14H2,1-4H3,(H,23,24,25,30)
InChiKey: NDSMOKBIZMIYDJ-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methyl-2-furyl)pyrimidin-4-yl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
N-[6-(3,5-dimethyl-1-pyrazolyl)-2-(5-methyl-2-furyl)-4-pyrimidinyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-methyl-1,4-diazepan-1-yl)ethanamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	adenosine A2a receptor	Starlite/ChEMBL	References
Homo sapiens	potassium voltage-gated channel, subfamily H (eag-related), member 2	Starlite/ChEMBL	References
Homo sapiens	adenosine A1 receptor	Starlite/ChEMBL	References
Rattus norvegicus	Adenosine A2a receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma japonicum	Potassium voltage-gated channel subfamily H member 2, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma japonicum	ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma japonicum	ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128858	All targets in OG5_128858
Echinococcus granulosus	potassium voltage gated channel subfamily H	Get druggable targets OG5_128858	All targets in OG5_128858
Loa Loa (eye worm)	voltage and ligand gated potassium channel	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma mansoni	voltage-gated potassium channel	Get druggable targets OG5_128858	All targets in OG5_128858
Echinococcus multilocularis	potassium voltage gated channel subfamily H	Get druggable targets OG5_128858	All targets in OG5_128858
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma mansoni	voltage-gated potassium channel	Get druggable targets OG5_128858	All targets in OG5_128858

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	biogenic amine (5HT) receptor	Adenosine A2a receptor	410 aa	399 aa	28.1 %
Echinococcus granulosus	thyrotropin releasing hormone receptor	Adenosine A2a receptor	410 aa	342 aa	23.1 %
Onchocerca volvulus		Adenosine A2a receptor	410 aa	337 aa	23.1 %
Onchocerca volvulus		Adenosine A2a receptor	410 aa	356 aa	23.9 %
Echinococcus granulosus	allatostatin A receptor	Adenosine A2a receptor	410 aa	368 aa	22.6 %
Schistosoma japonicum	ko:K04209 neuropeptide Y receptor, invertebrate, putative	Adenosine A2a receptor	410 aa	352 aa	23.6 %
Brugia malayi	follicle stimulating hormone receptor	adenosine A2a receptor	412 aa	336 aa	22.3 %
Echinococcus multilocularis	allatostatin A receptor	Adenosine A2a receptor	410 aa	372 aa	22.8 %
Schistosoma japonicum	ko:K04135 adrenergic receptor, alpha 1a, putative	Adenosine A2a receptor	410 aa	346 aa	28.3 %
Brugia malayi	hypothetical protein	adenosine A1 receptor	326 aa	305 aa	21.0 %
Schistosoma japonicum	ko:K04136 adrenergic receptor, alpha 1b, putative	Adenosine A2a receptor	410 aa	366 aa	25.4 %
Onchocerca volvulus	Mitochondrial inner membrane protein homolog	Adenosine A2a receptor	410 aa	340 aa	27.9 %
Echinococcus multilocularis	thyrotropin releasing hormone receptor	Adenosine A2a receptor	410 aa	342 aa	23.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	major facilitator superfamily protein	0.003	0.0858	0.0858
Trichomonas vaginalis	glucose transporter, putative	0.0067	0.2661	0.2506
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0045	0.1563	0.1563
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0858	0.0665
Onchocerca volvulus		0.003	0.0858	1
Echinococcus granulosus	synaptic vesicle 2 protein	0.003	0.0858	0.0858
Brugia malayi	major facilitator superfamily protein	0.003	0.0858	0.0858
Toxoplasma gondii	facilitative glucose transporter GT1	0.0215	1	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0017	0.0207	0.0207
Trypanosoma brucei	glucose transporter, putative	0.0067	0.2661	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0042	0.1418	0.1237
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0858	0.0665
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0207	0.0207
Trypanosoma cruzi	hexose transporter, putative	0.0067	0.2661	1
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0067	0.2661	1
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0215	1	1
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0858	0.0665
Brugia malayi	Carboxylesterase family protein	0.0017	0.0207	0.0207
Brugia malayi	Carboxylesterase family protein	0.0017	0.0207	0.0207
Brugia malayi	Major Facilitator Superfamily protein	0.003	0.0858	0.0858
Brugia malayi	Major Facilitator Superfamily protein	0.003	0.0858	0.0858
Loa Loa (eye worm)	sugar transporter	0.0215	1	1
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0858	0.0665
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0858	0.0665
Loa Loa (eye worm)	hypothetical protein	0.003	0.0858	0.0858
Echinococcus multilocularis	acetylcholinesterase	0.0101	0.4362	0.4362
Trichomonas vaginalis	myo-inositol transporter, putative	0.003	0.0858	0.0665
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0858	0.0665
Loa Loa (eye worm)	hypothetical protein	0.003	0.0858	0.0858
Loa Loa (eye worm)	hypothetical protein	0.0101	0.4362	0.4362
Trypanosoma brucei	glucose transporter, putative	0.0067	0.2661	1
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0858	0.0665
Onchocerca volvulus		0.003	0.0858	1
Schistosoma mansoni	sugar transporter	0.003	0.0858	0.0858
Echinococcus granulosus	BC026374 protein S09 family	0.0017	0.0207	0.0207
Trypanosoma cruzi	hexose transporter	0.0067	0.2661	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.0858	0.0858
Wolbachia endosymbiont of Brugia malayi	major facilitator superfamily permease	0.003	0.0858	0.5
Schistosoma mansoni	hypothetical protein	0.0215	1	1
Onchocerca volvulus		0.003	0.0858	1
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0045	0.1563	0.1563
Onchocerca volvulus		0.003	0.0858	1
Brugia malayi	Sugar transporter family protein	0.003	0.0858	0.0858
Loa Loa (eye worm)	hypothetical protein	0.0101	0.4362	0.4362
Loa Loa (eye worm)	hypothetical protein	0.003	0.0858	0.0858
Mycobacterium ulcerans	integral membrane transport protein	0.003	0.0858	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.0858	0.0858
Trypanosoma cruzi	hexose transporter, putative	0.0067	0.2661	1
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0067	0.2661	1
Onchocerca volvulus	Putative transporter	0.003	0.0858	1
Echinococcus granulosus	Sugar transporter ERD6 protein	0.003	0.0858	0.0858
Onchocerca volvulus		0.003	0.0858	1
Trichomonas vaginalis	conserved hypothetical protein	0.003	0.0858	0.0665
Trichomonas vaginalis	sugar transporter, putative	0.0067	0.2661	0.2506
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0045	0.1563	0.1563
Loa Loa (eye worm)	hypothetical protein	0.003	0.0858	0.0858
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0858	0.0665
Echinococcus granulosus	carboxylesterase 5A	0.0101	0.4362	0.4362
Echinococcus granulosus	solute carrier family 22	0.003	0.0858	0.0858
Echinococcus multilocularis	solute carrier family 22	0.003	0.0858	0.0858
Trichomonas vaginalis	conserved hypothetical protein	0.003	0.0858	0.0665
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0858	0.0665
Trypanosoma brucei	glucose transporter, putative	0.0067	0.2661	1
Echinococcus multilocularis	solute carrier family 22	0.003	0.0858	0.0858
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0858	0.0665
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0017	0.0207	0.0207
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0858	0.0665
Trypanosoma cruzi	hexose transporter, putative	0.0067	0.2661	1
Trypanosoma brucei	glucose transporter 1E	0.0067	0.2661	1
Onchocerca volvulus		0.003	0.0858	1
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0858	0.0665
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0858	0.0665
Schistosoma mansoni	BC026374 protein (S09 family)	0.0017	0.0207	0.0207
Schistosoma mansoni	glucose transport protein	0.0215	1	1
Schistosoma mansoni	sugar transporter	0.003	0.0858	0.0858
Onchocerca volvulus		0.003	0.0858	1
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0858	0.0665
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0215	1	1
Echinococcus granulosus	solute carrier family 22	0.003	0.0858	0.0858
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0067	0.2661	1
Trypanosoma brucei	glucose transporter, putative	0.0067	0.2661	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0101	0.4362	0.4362
Loa Loa (eye worm)	carboxylesterase	0.0101	0.4362	0.4362
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0858	0.0665
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0017	0.0207	0.0207
Trichomonas vaginalis	conserved hypothetical protein	0.003	0.0858	0.0665
Onchocerca volvulus		0.003	0.0858	1
Mycobacterium ulcerans	fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT	0.003	0.0858	1
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0045	0.1563	0.1563
Loa Loa (eye worm)	acetylcholinesterase 1	0.0101	0.4362	0.4362
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0858	0.0665
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0858	0.0665
Onchocerca volvulus		0.003	0.0858	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.0858	0.0858
Trichomonas vaginalis	conserved hypothetical protein	0.0067	0.2661	0.2506
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0858	0.0665
Echinococcus multilocularis	solute carrier family 22	0.003	0.0858	0.0858
Echinococcus multilocularis	General substrate transporter	0.0185	0.8504	0.8504
Loa Loa (eye worm)	hypothetical protein	0.003	0.0858	0.0858
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0215	1	1
Mycobacterium tuberculosis	Probable conserved integral membrane transport protein	0.003	0.0858	1
Trypanosoma brucei	glucose transporter, putative	0.0067	0.2661	1
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0858	0.0665
Brugia malayi	Carboxylesterase family protein	0.0017	0.0207	0.0207
Leishmania major	glucose transporter, lmgt3	0.0067	0.2661	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0042	0.1418	0.1237
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0858	0.0665
Brugia malayi	Carboxylesterase family protein	0.0017	0.0207	0.0207
Onchocerca volvulus		0.003	0.0858	1
Trypanosoma brucei	glucose transporter, putative	0.0067	0.2661	1
Onchocerca volvulus		0.003	0.0858	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1273	0.1273
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0858	0.0665
Loa Loa (eye worm)	carboxylesterase	0.0017	0.0207	0.0207
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0017	0.0207	0.0207
Trypanosoma cruzi	hexose transporter, putative	0.0036	0.1166	0.1706
Trichomonas vaginalis	conserved hypothetical protein	0.0215	1	1
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0215	1	1
Loa Loa (eye worm)	carboxylesterase	0.0017	0.0207	0.0207
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0207	0.0207
Echinococcus granulosus	General substrate transporter	0.0185	0.8504	0.8504
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0858	0.0665
Trichomonas vaginalis	sugar transport protein, putative	0.003	0.0858	0.0665
Trichomonas vaginalis	sugar transporter, putative	0.0067	0.2661	0.2506
Loa Loa (eye worm)	hypothetical protein	0.003	0.0858	0.0858
Echinococcus granulosus	solute carrier family 22	0.003	0.0858	0.0858
Brugia malayi	hypothetical protein	0.003	0.0858	0.0858
Onchocerca volvulus		0.003	0.0858	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.0858	0.0858
Loa Loa (eye worm)	hypothetical protein	0.003	0.0858	0.0858
Onchocerca volvulus		0.003	0.0858	1
Trypanosoma brucei	glucose transporter, putative	0.0067	0.2661	1
Trypanosoma brucei	glucose transporter, putative	0.0067	0.2661	1
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0858	0.0665
Loa Loa (eye worm)	hypothetical protein	0.003	0.0858	0.0858
Giardia lamblia	Hexose transporter	0.003	0.0858	0.5
Brugia malayi	hypothetical protein	0.003	0.0858	0.0858
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0858	0.0665
Echinococcus granulosus	para nitrobenzyl esterase	0.0017	0.0207	0.0207
Brugia malayi	Major Facilitator Superfamily protein	0.003	0.0858	0.0858
Echinococcus multilocularis	carboxylesterase 5A	0.0101	0.4362	0.4362
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0858	0.0665
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0858	0.0665
Trichomonas vaginalis	glucose transporter, putative	0.003	0.0858	0.0665
Loa Loa (eye worm)	sugar transporter	0.003	0.0858	0.0858
Echinococcus multilocularis	para nitrobenzyl esterase	0.0017	0.0207	0.0207
Trichomonas vaginalis	conserved hypothetical protein	0.003	0.0858	0.0665
Schistosoma mansoni	glucose transport protein	0.0215	1	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.0858	0.0858
Leishmania major	glucose transporter, lmgt1	0.0067	0.2661	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.0858	0.0858
Leishmania major	glucose transporter, lmgt2	0.0067	0.2661	1
Loa Loa (eye worm)	major facilitator superfamily transporter	0.003	0.0858	0.0858
Schistosoma mansoni	glucose transport protein	0.0215	1	1
Onchocerca volvulus		0.003	0.0858	1
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0858	0.0665
Schistosoma mansoni	voltage-gated potassium channel	0.0049	0.1765	0.1765
Brugia malayi	hypothetical protein	0.0017	0.0207	0.0207
Schistosoma mansoni	sugar transporter	0.003	0.0858	0.0858
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0215	1	1
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0215	1	1
Trypanosoma brucei	glucose transporter 2A	0.0067	0.2661	1
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0858	0.0665
Echinococcus multilocularis	acetylcholinesterase	0.0101	0.4362	0.4362
Echinococcus multilocularis	synaptic vesicle 2 protein	0.003	0.0858	0.0858
Schistosoma mansoni	nuclear transcription factor X-box binding 1 (nfx1)	0.003	0.0858	0.0858
Trichomonas vaginalis	conserved hypothetical protein	0.0067	0.2661	0.2506
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0207	0.0207
Echinococcus granulosus	neuroligin	0.0017	0.0207	0.0207
Mycobacterium tuberculosis	Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter)	0.003	0.0858	1
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0858	0.0665
Plasmodium falciparum	hexose transporter	0.0215	1	1
Onchocerca volvulus		0.003	0.0858	1
Loa Loa (eye worm)	major facilitator superfamily transporter	0.003	0.0858	0.0858
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0858	0.0665
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0207	0.0207
Trichomonas vaginalis	sugar transporter, putative	0.0067	0.2661	0.2506
Onchocerca volvulus		0.003	0.0858	1
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0215	1	1
Giardia lamblia	Sugar-proton symporter	0.003	0.0858	0.5
Echinococcus multilocularis	Sugar transporter ERD6 protein	0.003	0.0858	0.0858
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0858	0.0665
Brugia malayi	Carboxylesterase family protein	0.0101	0.4362	0.4362
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0858	0.0665
Schistosoma mansoni	sugar transporter	0.003	0.0858	0.0858
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0858	0.0665
Mycobacterium ulcerans	sugar-transport integral membrane protein SugI	0.003	0.0858	1
Echinococcus multilocularis	neuroligin	0.0017	0.0207	0.0207
Schistosoma mansoni	voltage-gated potassium channel	0.0049	0.1765	0.1765
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0215	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.003	0.0858	0.0665
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0858	0.0665
Loa Loa (eye worm)	hypothetical protein	0.003	0.0858	0.0858
Echinococcus multilocularis	solute carrier family 22	0.003	0.0858	0.0858
Schistosoma mansoni	glucose transporter	0.003	0.0858	0.0858
Schistosoma mansoni	acetylcholinesterase	0.0017	0.0207	0.0207
Echinococcus granulosus	solute carrier family 22	0.003	0.0858	0.0858
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0207	0.0207
Echinococcus granulosus	acetylcholinesterase	0.0101	0.4362	0.4362
Schistosoma mansoni	gliotactin	0.0017	0.0207	0.0207
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0017	0.0207	0.0207
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0017	0.0207	0.0207
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0858	0.0665
Trichomonas vaginalis	glucose transporter, putative	0.0067	0.2661	0.2506
Brugia malayi	hypothetical protein	0.003	0.0858	0.0858
Brugia malayi	Carboxylesterase family protein	0.0101	0.4362	0.4362
Echinococcus granulosus	acetylcholinesterase	0.0101	0.4362	0.4362
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0207	0.0207
Mycobacterium ulcerans	sugar transporter	0.003	0.0858	1
Plasmodium vivax	hexose transporter	0.0215	1	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0207	0.0207
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0017	0.0207	0.0207
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0067	0.2661	1
Brugia malayi	Sugar transporter family protein	0.003	0.0858	0.0858

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 285 nM	Inhibition of human ERG potassium current expressed in HEK293 cells by patch-clamp technique	ChEMBL.	18307293
IC50 (binding)	= 285 nM	Inhibition of human ERG potassium current expressed in HEK293 cells by patch-clamp technique	ChEMBL.	18307293
Ki (binding)	= 10 nM	Displacement of [3H]-ZM 241385 from human adenosine A2A receptor expressed in HEK293 cell membrane	ChEMBL.	18307293
Ki (binding)	= 10 nM	Displacement of [3H]-ZM 241385 from human adenosine A2A receptor expressed in HEK293 cell membrane	ChEMBL.	18307293
Ki (binding)	= 46.7 nM	Displacement of [3H]-ZM 241385 from rat adenosine A2A receptor expressed in CHO cell membrane	ChEMBL.	18307293
Ki (binding)	= 46.7 nM	Displacement of [3H]-ZM 241385 from rat adenosine A2A receptor expressed in CHO cell membrane	ChEMBL.	18307293
Ki (binding)	= 2100 nM	Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in HEK293 cell membrane	ChEMBL.	18307293
Ki (binding)	= 2100 nM	Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in HEK293 cell membrane	ChEMBL.	18307293
Ratio Ki (binding)	= 210	Selectivity ratio of Ki for human adenosine A1 receptor to Ki for human adenosine A2A receptor	ChEMBL.	18307293

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: CHEMBL409419
PubChem: 24768415

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 522991