TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 427.412 | Formula: C23H17N5O4
H donors: 4 H acceptors: 5 LogP: 1.6 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1cccc(c1)c1c[nH]c(=O)[nH]c1=O)Nc1ccc(cc1)NC(=O)c1ccccn1
InChi: 1S/C23H17N5O4/c29-20(15-5-3-4-14(12-15)18-13-25-23(32)28-21(18)30)26-16-7-9-17(10-8-16)27-22(31)19-6-1-2-11-24-19/h1-13H,(H,26,29)(H,27,31)(H2,25,28,30,32)
InChiKey: UKKCHLWQDVEFEM-UHFFFAOYSA-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
Escherichia coli	fused N-acetyl glucosamine-1-phosphate uridyltransferase/glucosamine-1-phosphate acetyl transferase	Starlite/ChEMBL	References
Homo sapiens	aurora kinase B	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania infantum	protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Loa Loa (eye worm)	AUR protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Plasmodium knowlesi	serine/threonine protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Trypanosoma congolense	aurora B kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Mycobacterium ulcerans	bifunctional N-acetylglucosamine-1-phosphate uridyltransferase/glucosamine-1-phosphate acetyltransferase	Get druggable targets OG5_131193	All targets in OG5_131193
Entamoeba histolytica	protein kinase domain containing protein	Get druggable targets OG5_127024	All targets in OG5_127024
Brugia malayi	serine/threonine-protein kinase 6	Get druggable targets OG5_127024	All targets in OG5_127024
Cryptosporidium parvum	protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Leishmania mexicana	protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Leishmania donovani	Aurora I-related kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Brugia malayi	serine/threonine kinase 12	Get druggable targets OG5_127024	All targets in OG5_127024
Entamoeba histolytica	serine/threonine- protein kinase 6, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Plasmodium berghei	serine/threonine protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Trichomonas vaginalis	AGC family protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Candida albicans	likely protein kinase similar to S. cerevisiae IPL1 (YPL209C) Aurora protein kinase involved in regulating kinetochore-microtubu	Get druggable targets OG5_127024	All targets in OG5_127024
Brugia malayi	serine/threonine protein kinase 6	Get druggable targets OG5_127024	All targets in OG5_127024
Echinococcus granulosus	serine:threonine protein kinase 12 B	Get druggable targets OG5_127024	All targets in OG5_127024
Candida albicans	likely protein kinase similar to S. cerevisiae IPL1 (YPL209C) Aurora protein kinase involved in regulating kinetochore-microtubu	Get druggable targets OG5_127024	All targets in OG5_127024
Leishmania braziliensis	protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Echinococcus multilocularis	serine:threonine protein kinase 12 B	Get druggable targets OG5_127024	All targets in OG5_127024
Entamoeba histolytica	serine/threonine protein kinase 6, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Schistosoma japonicum	Serine/threonine-protein kinase 12, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Trichomonas vaginalis	AGC family protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Schistosoma mansoni	protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Loa Loa (eye worm)	AUR protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Schistosoma japonicum	ko:K08850 aurora kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Trichomonas vaginalis	AGC family protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Wolbachia endosymbiont of Brugia malayi	N-acetylglucosamine-1-phosphate uridyltransferase	Get druggable targets OG5_131193	All targets in OG5_131193
Entamoeba histolytica	protein kinase , putative	Get druggable targets OG5_127024	All targets in OG5_127024
Toxoplasma gondii	aurora kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Entamoeba histolytica	protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Trichomonas vaginalis	AGC family protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Loa Loa (eye worm)	AUR protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Echinococcus multilocularis	aurora kinase A	Get druggable targets OG5_127024	All targets in OG5_127024
Trypanosoma cruzi	aurora B kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Giardia lamblia	Aurora kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Trypanosoma brucei	aurora B kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Leishmania major	protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Entamoeba histolytica	protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Neospora caninum	hypothetical protein	Get druggable targets OG5_127024	All targets in OG5_127024
Echinococcus granulosus	aurora kinase A	Get druggable targets OG5_127024	All targets in OG5_127024
Plasmodium yoelii	Protein kinase domain, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Plasmodium falciparum	serine/threonine protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Entamoeba histolytica	serine/threonine- protein kinase 6 , putative	Get druggable targets OG5_127024	All targets in OG5_127024
Mycobacterium tuberculosis	Probable UDP-N-acetylglucosamine pyrophosphorylase GlmU	Get druggable targets OG5_131193	All targets in OG5_131193
Plasmodium vivax	serine/threonine protein kinase 6, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Plasmodium yoelii	putative protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Cryptosporidium hominis	protein kinase (EC 2.7.1.-) p46XlEg22	Get druggable targets OG5_127024	All targets in OG5_127024
Trypanosoma brucei gambiense	protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Mycobacterium leprae	Probable UDP-N-acetylglucosamine pyrophosphorylase GlmU	Get druggable targets OG5_131193	All targets in OG5_131193

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma brucei	mitogen-activated protein kinase 5	aurora kinase B	303 aa	299 aa	22.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	GnHR receptor homolog	0.0139	0.0245	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0139	0.0245	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0139	0.0245	0.5
Onchocerca volvulus		0.0139	0.0245	0.5
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0245	0.5
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0245	0.5
Echinococcus multilocularis	fmrfamide receptor	0.0139	0.0245	0.5
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0139	0.0245	0.5
Mycobacterium ulcerans	bifunctional N-acetylglucosamine-1-phosphate uridyltransferase/glucosamine-1-phosphate acetyltransferase	0.0684	1	1
Schistosoma mansoni	growth hormone secretagogue receptor	0.0139	0.0245	0.5
Schistosoma mansoni	opsin-like receptor	0.0139	0.0245	0.5
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0245	0.5
Brugia malayi	hypothetical protein	0.0139	0.0245	0.5
Brugia malayi	Serotonin receptor	0.0139	0.0245	0.5
Echinococcus granulosus	neuropeptide s receptor	0.0139	0.0245	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0139	0.0245	0.5
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0245	0.5
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0245	0.5
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0139	0.0245	0.5
Echinococcus granulosus	g protein coupled receptor	0.0139	0.0245	0.5
Brugia malayi	putative neuropeptide receptor	0.0139	0.0245	0.5
Schistosoma mansoni	neuropeptide f receptor 76f	0.0139	0.0245	0.5
Brugia malayi	AKH receptor	0.0139	0.0245	0.5
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0245	0.5
Echinococcus multilocularis	serotonin receptor	0.0139	0.0245	0.5
Schistosoma mansoni	amine GPCR	0.0139	0.0245	0.5
Onchocerca volvulus		0.0139	0.0245	0.5
Schistosoma mansoni	biogenic amine receptor	0.0139	0.0245	0.5
Onchocerca volvulus		0.0139	0.0245	0.5
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0139	0.0245	0.5
Echinococcus granulosus	G protein coupled receptor 139	0.0139	0.0245	0.5
Onchocerca volvulus		0.0139	0.0245	0.5
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0245	0.5
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0139	0.0245	0.5
Brugia malayi	Dopamine receptor	0.0139	0.0245	0.5
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0139	0.0245	0.5
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0139	0.0245	0.5
Onchocerca volvulus		0.0139	0.0245	0.5
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0139	0.0245	0.5
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0139	0.0245	0.5
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0245	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0139	0.0245	0.5
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0139	0.0245	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0139	0.0245	0.5
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0139	0.0245	0.5
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0245	0.5
Schistosoma mansoni	opsin-like receptor	0.0139	0.0245	0.5
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0139	0.0245	0.5
Onchocerca volvulus		0.0139	0.0245	0.5
Echinococcus multilocularis	neuropeptide receptor	0.0139	0.0245	0.5
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0245	0.5
Schistosoma mansoni	amine GPCR	0.0139	0.0245	0.5
Echinococcus granulosus	g-protein coupled receptor	0.0139	0.0245	0.5
Brugia malayi	hypothetical protein	0.0139	0.0245	0.5
Brugia malayi	hypothetical protein	0.0139	0.0245	0.5
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0245	0.5
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0139	0.0245	0.5
Loa Loa (eye worm)	TYRA-2 protein	0.0139	0.0245	0.5
Echinococcus multilocularis	g protein coupled receptor	0.0139	0.0245	0.5
Echinococcus granulosus	neuropeptide FF receptor 2	0.0139	0.0245	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0139	0.0245	0.5
Echinococcus multilocularis	neuropeptide receptor	0.0139	0.0245	0.5
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0245	0.5
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0139	0.0245	0.5
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0139	0.0245	0.5
Echinococcus granulosus	tm gpcr rhodopsin	0.0139	0.0245	0.5
Echinococcus granulosus	neuropeptides capa receptor	0.0139	0.0245	0.5
Treponema pallidum	licC protein (licC)	0.0125	0	0.5
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0139	0.0245	0.5
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0139	0.0245	0.5
Schistosoma mansoni	histamine h1 receptor	0.0139	0.0245	0.5
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0139	0.0245	0.5
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0139	0.0245	0.5
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0139	0.0245	0.5
Echinococcus multilocularis	neuropeptide receptor A26	0.0139	0.0245	0.5
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0139	0.0245	0.5
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0139	0.0245	0.5
Schistosoma mansoni	neuropeptide F-like receptor	0.0139	0.0245	0.5
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0245	0.5
Schistosoma mansoni	opsin-like receptor	0.0139	0.0245	0.5
Echinococcus granulosus	7TM GPCR rhodopsin	0.0139	0.0245	0.5
Schistosoma mansoni	neuropeptide receptor	0.0139	0.0245	0.5
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0139	0.0245	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0139	0.0245	0.5
Brugia malayi	G-protein coupled receptor	0.0139	0.0245	0.5
Brugia malayi	Dopamine receptor protein 1	0.0139	0.0245	0.5
Brugia malayi	Dopamine receptor protein 2	0.0139	0.0245	0.5
Echinococcus granulosus	tm gpcr rhodopsin	0.0139	0.0245	0.5
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0139	0.0245	0.5
Schistosoma mansoni	neuropeptide F-like receptor	0.0139	0.0245	0.5
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0139	0.0245	0.5
Brugia malayi	Melatonin receptor type 1A	0.0139	0.0245	0.5
Onchocerca volvulus		0.0139	0.0245	0.5
Echinococcus granulosus	neuropeptide receptor A26	0.0139	0.0245	0.5
Echinococcus granulosus	g protein coupled receptor	0.0139	0.0245	0.5
Schistosoma mansoni	hypothetical protein	0.0139	0.0245	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0139	0.0245	0.5
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0139	0.0245	0.5
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0139	0.0245	0.5
Toxoplasma gondii	eukaryotic initiation factor-2B, gamma subunit, putative	0.0125	0	0.5
Schistosoma mansoni	biogenic amine receptor	0.0139	0.0245	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0139	0.0245	0.5
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0245	0.5
Echinococcus granulosus	7tm_1 domain containing protein	0.0139	0.0245	0.5
Loa Loa (eye worm)	neuropeptide F receptor	0.0139	0.0245	0.5
Onchocerca volvulus		0.0139	0.0245	0.5
Loa Loa (eye worm)	melatonin receptor type 1A	0.0139	0.0245	0.5
Echinococcus multilocularis	allatostatin A receptor	0.0139	0.0245	0.5
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0245	0.5
Brugia malayi	hypothetical protein	0.0139	0.0245	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0139	0.0245	0.5
Brugia malayi	follicle stimulating hormone receptor	0.0139	0.0245	0.5
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0139	0.0245	0.5
Echinococcus granulosus	g protein coupled receptor	0.0139	0.0245	0.5
Schistosoma mansoni	neuropeptide receptor	0.0139	0.0245	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0139	0.0245	0.5
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0139	0.0245	0.5
Mycobacterium tuberculosis	Probable UDP-N-acetylglucosamine pyrophosphorylase GlmU	0.0684	1	1
Onchocerca volvulus		0.0139	0.0245	0.5
Echinococcus granulosus	somatostatin receptor	0.0139	0.0245	0.5
Wolbachia endosymbiont of Brugia malayi	N-acetylglucosamine-1-phosphate uridyltransferase	0.0684	1	0.5
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0139	0.0245	0.5
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0139	0.0245	0.5
Brugia malayi	hypothetical protein	0.0139	0.0245	0.5
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0245	0.5
Echinococcus granulosus	fmrfamide receptor	0.0139	0.0245	0.5
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0245	0.5
Echinococcus multilocularis	g-protein coupled receptor	0.0139	0.0245	0.5
Echinococcus granulosus	allatostatin A receptor	0.0139	0.0245	0.5
Brugia malayi	sulfakinin receptor protein	0.0139	0.0245	0.5
Brugia malayi	putative neuropeptide receptor NPR1	0.0139	0.0245	0.5
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0139	0.0245	0.5
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0245	0.5
Echinococcus multilocularis	g protein coupled receptor	0.0139	0.0245	0.5
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0245	0.5
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0139	0.0245	0.5
Brugia malayi	larval opioid receptor	0.0139	0.0245	0.5
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0245	0.5
Onchocerca volvulus		0.0139	0.0245	0.5
Echinococcus granulosus	serotonin receptor	0.0139	0.0245	0.5
Echinococcus multilocularis	dro:myosuppressin receptor	0.0139	0.0245	0.5
Echinococcus multilocularis	orexin receptor type 2	0.0139	0.0245	0.5
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0245	0.5
Echinococcus granulosus	neuropeptide receptor	0.0139	0.0245	0.5
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0245	0.5
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0139	0.0245	0.5
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0139	0.0245	0.5
Schistosoma mansoni	neuropeptide receptor	0.0139	0.0245	0.5
Echinococcus multilocularis	sex peptide receptor	0.0139	0.0245	0.5
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0139	0.0245	0.5
Echinococcus multilocularis	neuropeptides capa receptor	0.0139	0.0245	0.5
Echinococcus granulosus	neuropeptide receptor	0.0139	0.0245	0.5
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0139	0.0245	0.5
Echinococcus multilocularis	neuropeptide s receptor	0.0139	0.0245	0.5
Brugia malayi	hypothetical protein	0.0139	0.0245	0.5
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0245	0.5
Echinococcus granulosus	tm gpcr rhodopsin	0.0139	0.0245	0.5
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0139	0.0245	0.5
Onchocerca volvulus		0.0139	0.0245	0.5
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0139	0.0245	0.5
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0245	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0139	0.0245	0.5
Echinococcus multilocularis	G protein coupled receptor 139	0.0139	0.0245	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0139	0.0245	0.5
Brugia malayi	G protein-coupled receptor	0.0139	0.0245	0.5
Echinococcus granulosus	neuropeptides capa receptor	0.0139	0.0245	0.5
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0245	0.5
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0245	0.5
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0245	0.5
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0139	0.0245	0.5
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0139	0.0245	0.5
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0139	0.0245	0.5
Brugia malayi	neuropeptide F receptor	0.0139	0.0245	0.5
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0139	0.0245	0.5
Echinococcus granulosus	biogenic amine 5HT receptor	0.0139	0.0245	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0139	0.0245	0.5
Schistosoma mansoni	amine GPCR	0.0139	0.0245	0.5
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0245	0.5
Schistosoma mansoni	biogenic amine receptor	0.0139	0.0245	0.5
Brugia malayi	hypothetical protein	0.0139	0.0245	0.5
Brugia malayi	neuropeptide F receptor	0.0139	0.0245	0.5
Echinococcus granulosus	dro:myosuppressin receptor	0.0139	0.0245	0.5
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0245	0.5
Brugia malayi	G protein-coupled receptor F59B2.13	0.0139	0.0245	0.5
Echinococcus multilocularis	neuropeptides capa receptor	0.0139	0.0245	0.5
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0245	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0139	0.0245	0.5
Schistosoma mansoni	hypothetical protein	0.0139	0.0245	0.5
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0139	0.0245	0.5
Schistosoma mansoni	neuropeptide receptor	0.0139	0.0245	0.5
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0245	0.5
Schistosoma mansoni	amine GPCR	0.0139	0.0245	0.5
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0245	0.5
Brugia malayi	G-protein coupled receptor	0.0139	0.0245	0.5
Echinococcus multilocularis	serotonin receptor	0.0139	0.0245	0.5
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0139	0.0245	0.5
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0245	0.5
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0245	0.5
Brugia malayi	Serotonin receptor	0.0139	0.0245	0.5
Echinococcus granulosus	sex peptide receptor	0.0139	0.0245	0.5
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0245	0.5
Echinococcus multilocularis	somatostatin receptor	0.0139	0.0245	0.5
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0139	0.0245	0.5
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0245	0.5
Loa Loa (eye worm)	G-protein coupled receptor	0.0139	0.0245	0.5
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0139	0.0245	0.5
Onchocerca volvulus		0.0139	0.0245	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0139	0.0245	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0139	0.0245	0.5
Schistosoma mansoni	adenoreceptor	0.0139	0.0245	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0139	0.0245	0.5
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0245	0.5
Brugia malayi	hypothetical protein	0.0139	0.0245	0.5
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0245	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0139	0.0245	0.5
Schistosoma mansoni	amine GPCR	0.0139	0.0245	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0139	0.0245	0.5
Brugia malayi	hypothetical protein	0.0139	0.0245	0.5
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0139	0.0245	0.5
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0139	0.0245	0.5
Loa Loa (eye worm)	G-protein coupled receptor	0.0139	0.0245	0.5
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0139	0.0245	0.5
Echinococcus multilocularis	fmrfamide receptor	0.0139	0.0245	0.5
Echinococcus multilocularis	neuropeptide Y receptor	0.0139	0.0245	0.5
Echinococcus granulosus	biogenic amine 5HT receptor	0.0139	0.0245	0.5
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0139	0.0245	0.5
Brugia malayi	ORL1-like opioid receptor	0.0139	0.0245	0.5
Echinococcus granulosus	neuropeptide Y receptor	0.0139	0.0245	0.5
Onchocerca volvulus		0.0139	0.0245	0.5
Schistosoma mansoni	hypothetical protein	0.0139	0.0245	0.5
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0139	0.0245	0.5
Onchocerca volvulus		0.0139	0.0245	0.5
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0245	0.5
Brugia malayi	RE15519p	0.0139	0.0245	0.5
Onchocerca volvulus		0.0139	0.0245	0.5
Echinococcus granulosus	hypothetical protein	0.0139	0.0245	0.5
Loa Loa (eye worm)	neuropeptide F receptor	0.0139	0.0245	0.5
Echinococcus granulosus	neuropeptide Y receptor	0.0139	0.0245	0.5
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0139	0.0245	0.5
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0139	0.0245	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0139	0.0245	0.5
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0245	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0139	0.0245	0.5
Brugia malayi	hypothetical protein	0.0139	0.0245	0.5
Onchocerca volvulus		0.0139	0.0245	0.5
Onchocerca volvulus		0.0139	0.0245	0.5
Echinococcus multilocularis	neuropeptide Y receptor	0.0139	0.0245	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0139	0.0245	0.5
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0245	0.5
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0245	0.5
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0245	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0139	0.0245	0.5
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0245	0.5
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0139	0.0245	0.5
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0245	0.5
Echinococcus granulosus	orexin receptor type 2	0.0139	0.0245	0.5
Echinococcus multilocularis	g protein coupled receptor	0.0139	0.0245	0.5
Schistosoma mansoni	hypothetical protein	0.0139	0.0245	0.5
Schistosoma mansoni	myosin xvIII	0.0139	0.0245	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.35 uM	Inhibition of Escherichia coli ATCC 27325 GlmU expressed in Escherichia coli HMS174(DE3) incubated for 15 mins prior to MgCl2 addition measured after 30 mins by malachite green staining-based assay	ChEMBL.	25262942
IC50 (binding)	= 7.51 uM	Inhibition of human AURKB incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay	ChEMBL.	25262942
IC50 (binding)	> 30 uM	Inhibition of human IRAK4 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay	ChEMBL.	25262942
IC50 (binding)	> 30 uM	Inhibition of human IRAK1 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay	ChEMBL.	25262942
IC50 (binding)	> 30 uM	Inhibition of human JAK1 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay	ChEMBL.	25262942
IC50 (binding)	> 30 uM	Inhibition of human JAK2 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay	ChEMBL.	25262942
IC50 (binding)	> 30 uM	Inhibition of human JAK3 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay	ChEMBL.	25262942
IC50 (binding)	> 30 uM	Inhibition of human CDK1 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay	ChEMBL.	25262942
IC50 (binding)	> 30 uM	Inhibition of human CDK2 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay	ChEMBL.	25262942
IC50 (binding)	> 30 uM	Inhibition of human CDK9 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay	ChEMBL.	25262942
PB (ADMET)	= 98.1 %	Serum protein binding in human at 10 uM after 30 mins by ultrafiltration method	ChEMBL.	25262942

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: CHEMBL3343051

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 935598