TDR Targets

Basic information

Technical information

TDR Targets ID: 457187
Name: N-cyclohexyl-2-[(4-methyl-1-oxo-2,3,4,9-tetra hydropyrido[3,4-b]indole-6-carbonyl)amino]-1, 3-thiazole-4-carboxamide
MW: 451.541 | Formula: C23H25N5O3S
H donors: 4 H acceptors: 4 LogP: 3.64 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1ccc2c(c1)c1C(C)CNC(=O)c1[nH]2)Nc1scc(n1)C(=O)NC1CCCCC1
InChi: 1S/C23H25N5O3S/c1-12-10-24-22(31)19-18(12)15-9-13(7-8-16(15)26-19)20(29)28-23-27-17(11-32-23)21(30)25-14-5-3-2-4-6-14/h7-9,11-12,14,26H,2-6,10H2,1H3,(H,24,31)(H,25,30)(H,27,28,29)
InChiKey: WIVODQGHXOFCFL-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

N-cyclohexyl-2-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]thiazole-4-carboxamide
N-cyclohexyl-2-[[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indol-6-yl)-oxomethyl]amino]-4-thiazolecarboxamide
N-cyclohexyl-2-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indol-6-yl)carbonylamino]-1,3-thiazole-4-carboxamide
N-cyclohexyl-2-[(1-keto-4-methyl-2,3,4,9-tetrahydro-$b-carboline-6-carbonyl)amino]thiazole-4-carboxamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	mitogen-activated protein kinase-activated protein kinase 2	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	camk/mapkapk/mapkapk protein kinase	Get druggable targets OG5_131483	All targets in OG5_131483
Echinococcus multilocularis	MAP kinase activated protein kinase 2	Get druggable targets OG5_131483	All targets in OG5_131483
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_131483	All targets in OG5_131483
Schistosoma japonicum	ko:K04443 mitogen-activated protein kinase-activated protein kinase 2, putative	Get druggable targets OG5_131483	All targets in OG5_131483
Brugia malayi	map kinase activated protein kinase protein 2	Get druggable targets OG5_131483	All targets in OG5_131483
Echinococcus granulosus	MAP kinase activated protein kinase 2	Get druggable targets OG5_131483	All targets in OG5_131483

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	mitogen-activated protein kinase-activated protein kinase 2	370 aa	303 aa	26.4 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0162	0.0162
Brugia malayi	Melatonin receptor type 1A	0.0019	0.0162	0.0378
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0019	0.0162	0.0378
Brugia malayi	G-protein coupled receptor	0.0019	0.0162	0.0378
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0162	0.0162
Echinococcus multilocularis	DNA repair protein complementing XP G cells	0.0039	0.0576	0.1347
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0019	0.0162	0.0378
Schistosoma mansoni	hypothetical protein	0.0019	0.0162	0.0378
Onchocerca volvulus		0.0019	0.0162	0.5
Echinococcus granulosus	orexin receptor type 2	0.0019	0.0162	0.0378
Onchocerca volvulus		0.0019	0.0162	0.5
Brugia malayi	neuropeptide F receptor	0.0019	0.0162	0.0378
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0019	0.0162	0.0378
Echinococcus granulosus	G protein coupled receptor 139	0.0019	0.0162	0.0378
Schistosoma mansoni	amine GPCR	0.0019	0.0162	0.0378
Echinococcus multilocularis	g protein coupled receptor	0.0019	0.0162	0.0378
Onchocerca volvulus		0.0019	0.0162	0.5
Plasmodium vivax	DNA repair protein RAD2, putative	0.0039	0.0576	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0162	0.0162
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0019	0.0162	0.0378
Echinococcus multilocularis	neuropeptides capa receptor	0.0019	0.0162	0.0378
Echinococcus granulosus	rhodopsin orphan GPCR	0.0019	0.0162	0.0378
Schistosoma mansoni	neuropeptide receptor	0.0019	0.0162	0.0378
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0019	0.0162	0.0378
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0162	0.0162
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0019	0.0162	0.0378
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0019	0.0162	0.0162
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0019	0.0162	0.0378
Loa Loa (eye worm)	neuropeptide F receptor	0.0019	0.0162	0.0162
Echinococcus multilocularis	MAP kinase activated protein kinase 2	0.0217	0.4275	1
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0019	0.0162	0.0378
Echinococcus granulosus	neuropeptide s receptor	0.0019	0.0162	0.0378
Schistosoma mansoni	biogenic amine receptor	0.0019	0.0162	0.0378
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0162	0.0162
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0019	0.0162	0.0378
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0019	0.0162	0.0378
Echinococcus granulosus	tm gpcr rhodopsin	0.0019	0.0162	0.0378
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0019	0.0162	0.0378
Plasmodium vivax	flap endonuclease 1, putative	0.0034	0.0469	0.8145
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0162	0.0162
Brugia malayi	Serotonin receptor	0.0019	0.0162	0.0378
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0162	0.0162
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0019	0.0162	0.0378
Schistosoma mansoni	neuropeptide receptor	0.0019	0.0162	0.0378
Entamoeba histolytica	DNA-repair protein, putative	0.0039	0.0576	1
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0019	0.0162	0.0162
Echinococcus multilocularis	neuropeptide receptor	0.0019	0.0162	0.0378
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0019	0.0162	0.0378
Trichomonas vaginalis	flap endonuclease-1, putative	0.0034	0.0469	0.8145
Brugia malayi	G protein-coupled receptor	0.0019	0.0162	0.0378
Brugia malayi	Flap endonuclease-1	0.0034	0.0469	0.1097
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0019	0.0162	0.0378
Brugia malayi	neuropeptide F receptor	0.0019	0.0162	0.0378
Echinococcus multilocularis	neuropeptide receptor	0.0019	0.0162	0.0378
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0019	0.0162	0.0378
Schistosoma mansoni	amine GPCR	0.0019	0.0162	0.0378
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0576	0.0576
Echinococcus granulosus	dro:myosuppressin receptor	0.0019	0.0162	0.0378
Schistosoma mansoni	neuropeptide receptor	0.0019	0.0162	0.0378
Schistosoma mansoni	neuropeptide F-like receptor	0.0019	0.0162	0.0378
Echinococcus multilocularis	neuropeptide Y receptor	0.0019	0.0162	0.0378
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0019	0.0162	0.0378
Echinococcus multilocularis	fmrfamide receptor	0.0019	0.0162	0.0378
Toxoplasma gondii	XPG N-terminal domain-containing protein	0.0039	0.0576	1
Echinococcus multilocularis	fmrfamide receptor	0.0019	0.0162	0.0378
Schistosoma mansoni	biogenic amine receptor	0.0019	0.0162	0.0378
Echinococcus granulosus	tm gpcr rhodopsin	0.0019	0.0162	0.0378
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0162	0.0162
Brugia malayi	hypothetical protein	0.0019	0.0162	0.0378
Loa Loa (eye worm)	TYRA-2 protein	0.0019	0.0162	0.0162
Echinococcus granulosus	g protein coupled receptor	0.0019	0.0162	0.0378
Onchocerca volvulus		0.0019	0.0162	0.5
Onchocerca volvulus		0.0019	0.0162	0.5
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0162	0.0162
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0019	0.0162	0.0378
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0019	0.0162	0.0378
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0019	0.0162	0.0378
Onchocerca volvulus		0.0019	0.0162	0.5
Schistosoma mansoni	neuropeptide f receptor 76f	0.0019	0.0162	0.0378
Onchocerca volvulus		0.0019	0.0162	0.5
Schistosoma mansoni	adenoreceptor	0.0019	0.0162	0.0378
Echinococcus multilocularis	serotonin receptor	0.0019	0.0162	0.0378
Echinococcus granulosus	rhodopsin orphan GPCR	0.0019	0.0162	0.0378
Brugia malayi	sulfakinin receptor protein	0.0019	0.0162	0.0378
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0019	0.0162	0.0378
Onchocerca volvulus		0.0019	0.0162	0.5
Onchocerca volvulus		0.0019	0.0162	0.5
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0162	0.0162
Schistosoma mansoni	xp-G/rad2 DNA repair endonuclease family	0.0039	0.0576	0.1347
Brugia malayi	XPG N-terminal domain containing protein	0.0033	0.045	0.1052
Brugia malayi	GnHR receptor homolog	0.0019	0.0162	0.0378
Echinococcus granulosus	rhodopsin orphan GPCR	0.0019	0.0162	0.0378
Echinococcus granulosus	MAP kinase activated protein kinase 2	0.0217	0.4275	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0162	0.0162
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0019	0.0162	0.0378
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0162	0.0162
Brugia malayi	follicle stimulating hormone receptor	0.0019	0.0162	0.0378
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0162	0.0162
Schistosoma mansoni	biogenic amine receptor	0.0019	0.0162	0.0378
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0019	0.0162	0.0378
Echinococcus granulosus	7TM GPCR rhodopsin	0.0019	0.0162	0.0378
Echinococcus granulosus	hypothetical protein	0.0019	0.0162	0.0378
Echinococcus granulosus	rhodopsin orphan GPCR	0.0019	0.0162	0.0378
Schistosoma mansoni	amine GPCR	0.0019	0.0162	0.0378
Brugia malayi	hypothetical protein	0.0019	0.0162	0.0378
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0019	0.0162	0.0378
Schistosoma mansoni	opsin-like receptor	0.0019	0.0162	0.0378
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0162	0.0162
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0162	0.0162
Echinococcus granulosus	allatostatin A receptor	0.0019	0.0162	0.0378
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0162	0.0162
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0162	0.0162
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0019	0.0162	0.0378
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0162	0.0162
Echinococcus multilocularis	dro:myosuppressin receptor	0.0019	0.0162	0.0378
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0019	0.0162	0.0162
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0162	0.0162
Echinococcus granulosus	tm gpcr rhodopsin	0.0019	0.0162	0.0378
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0019	0.0162	0.0378
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0162	0.0162
Onchocerca volvulus		0.0019	0.0162	0.5
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0019	0.0162	0.0378
Echinococcus multilocularis	g-protein coupled receptor	0.0019	0.0162	0.0378
Brugia malayi	Dopamine receptor protein 2	0.0019	0.0162	0.0378
Onchocerca volvulus		0.0019	0.0162	0.5
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0162	0.0162
Plasmodium falciparum	flap endonuclease 1	0.0034	0.0469	0.8145
Onchocerca volvulus		0.0019	0.0162	0.5
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0162	0.0162
Brugia malayi	Dopamine receptor protein 1	0.0019	0.0162	0.0378
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0162	0.0162
Echinococcus multilocularis	neuropeptide Y receptor	0.0019	0.0162	0.0378
Echinococcus granulosus	flap endonuclease 1	0.0034	0.0469	0.1097
Loa Loa (eye worm)	camk/mapkapk/mapkapk protein kinase	0.0217	0.4275	0.4275
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0019	0.0162	0.0378
Echinococcus multilocularis	g protein coupled receptor	0.0019	0.0162	0.0378
Loa Loa (eye worm)	melatonin receptor type 1A	0.0019	0.0162	0.0162
Echinococcus multilocularis	flap endonuclease 1	0.0034	0.0469	0.1097
Schistosoma mansoni	neuropeptide receptor	0.0019	0.0162	0.0378
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0019	0.0162	0.0378
Brugia malayi	putative neuropeptide receptor	0.0019	0.0162	0.0378
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0019	0.0162	0.0378
Schistosoma mansoni	growth hormone secretagogue receptor	0.0019	0.0162	0.0378
Onchocerca volvulus		0.0019	0.0162	0.5
Schistosoma mansoni	amine GPCR	0.0019	0.0162	0.0378
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0162	0.0162
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0019	0.0162	0.5
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0162	0.0162
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0019	0.0162	0.0378
Brugia malayi	hypothetical protein	0.0019	0.0162	0.0378
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0162	0.0162
Leishmania major	flap endonuclease-1 (FEN-1), putative	0.0034	0.0469	1
Brugia malayi	RE15519p	0.0019	0.0162	0.0378
Echinococcus granulosus	neuropeptide Y receptor	0.0019	0.0162	0.0378
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0162	0.0162
Echinococcus granulosus	biogenic amine 5HT receptor	0.0019	0.0162	0.0378
Echinococcus multilocularis	somatostatin receptor	0.0019	0.0162	0.0378
Echinococcus granulosus	neuropeptides capa receptor	0.0019	0.0162	0.0378
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0019	0.0162	0.0378
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0019	0.0162	0.0378
Schistosoma mansoni	flap endonuclease-1	0.0029	0.0356	0.0832
Onchocerca volvulus		0.0019	0.0162	0.5
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0019	0.0162	0.0378
Echinococcus granulosus	somatostatin receptor	0.0019	0.0162	0.0378
Brugia malayi	putative neuropeptide receptor NPR1	0.0019	0.0162	0.0378
Echinococcus granulosus	neuropeptides capa receptor	0.0019	0.0162	0.0378
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0019	0.0162	0.0378
Echinococcus granulosus	fmrfamide receptor	0.0019	0.0162	0.0378
Echinococcus multilocularis	neuropeptides capa receptor	0.0019	0.0162	0.0378
Echinococcus multilocularis	sex peptide receptor	0.0019	0.0162	0.0378
Loa Loa (eye worm)	G-protein coupled receptor	0.0019	0.0162	0.0162
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0019	0.0162	0.0378
Schistosoma mansoni	amine GPCR	0.0019	0.0162	0.0378
Onchocerca volvulus		0.0019	0.0162	0.5
Brugia malayi	G-protein coupled receptor	0.0019	0.0162	0.0378
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0019	0.0162	0.0378
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0019	0.0162	0.0378
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0019	0.0162	0.5
Echinococcus granulosus	neuropeptide Y receptor	0.0019	0.0162	0.0378
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0019	0.0162	0.0378
Echinococcus granulosus	biogenic amine 5HT receptor	0.0019	0.0162	0.0378
Echinococcus granulosus	DNA repair protein complementing XP G cells	0.0039	0.0576	0.1347
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0162	0.0162
Loa Loa (eye worm)	neuropeptide F receptor	0.0019	0.0162	0.0162
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0019	0.0162	0.0378
Brugia malayi	AKH receptor	0.0019	0.0162	0.0378
Schistosoma mansoni	hypothetical protein	0.0019	0.0162	0.0378
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0162	0.0162
Brugia malayi	hypothetical protein	0.0019	0.0162	0.0378
Echinococcus multilocularis	G protein coupled receptor 139	0.0019	0.0162	0.0378
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0019	0.0162	0.0378
Giardia lamblia	Flap structure-specific endonuclease	0.0034	0.0469	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0019	0.0162	0.0378
Brugia malayi	ORL1-like opioid receptor	0.0019	0.0162	0.0378
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0019	0.0162	0.0378
Brugia malayi	hypothetical protein	0.0019	0.0162	0.0378
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0019	0.0162	0.0162
Loa Loa (eye worm)	G-protein coupled receptor	0.0019	0.0162	0.0162
Brugia malayi	hypothetical protein	0.0019	0.0162	0.0378
Schistosoma mansoni	histamine h1 receptor	0.0019	0.0162	0.0378
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0162	0.0162
Echinococcus multilocularis	orexin receptor type 2	0.0019	0.0162	0.0378
Brugia malayi	hypothetical protein	0.0019	0.0162	0.0378
Brugia malayi	hypothetical protein	0.0019	0.0162	0.0378
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0019	0.0162	0.0378
Onchocerca volvulus		0.0019	0.0162	0.5
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0019	0.0162	0.0162
Echinococcus granulosus	serotonin receptor	0.0019	0.0162	0.0378
Trichomonas vaginalis	flap endonuclease-1, putative	0.0039	0.0576	1
Echinococcus granulosus	g-protein coupled receptor	0.0019	0.0162	0.0378
Brugia malayi	hypothetical protein	0.0019	0.0162	0.0378
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0019	0.0162	0.0378
Echinococcus multilocularis	g protein coupled receptor	0.0019	0.0162	0.0378
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0019	0.0162	0.0378
Toxoplasma gondii	flap structure-specific endonuclease 1, putative	0.0034	0.0469	0.8145
Echinococcus granulosus	rhodopsin orphan GPCR	0.0019	0.0162	0.0378
Schistosoma mansoni	myosin xvIII	0.0019	0.0162	0.0378
Echinococcus multilocularis	neuropeptide receptor A26	0.0019	0.0162	0.0378
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0019	0.0162	0.0378
Entamoeba histolytica	Flap nuclease, putative	0.0034	0.0469	0.8145
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0019	0.0162	0.0378
Brugia malayi	G protein-coupled receptor F59B2.13	0.0019	0.0162	0.0378
Echinococcus multilocularis	neuropeptide s receptor	0.0019	0.0162	0.0378
Onchocerca volvulus		0.0019	0.0162	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0019	0.0162	0.0378
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0162	0.0162
Trypanosoma brucei	flap endonuclease-1 (FEN-1), putative	0.0034	0.0469	1
Schistosoma mansoni	neuropeptide F-like receptor	0.0019	0.0162	0.0378
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0162	0.0162
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0019	0.0162	0.0378
Echinococcus granulosus	neuropeptide receptor A26	0.0019	0.0162	0.0378
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0019	0.0162	0.0378
Schistosoma mansoni	hypothetical protein	0.0019	0.0162	0.0378
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0019	0.0162	0.0378
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0162	0.0162
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0019	0.0162	0.0378
Echinococcus granulosus	rhodopsin orphan GPCR	0.0019	0.0162	0.0378
Brugia malayi	Dopamine receptor	0.0019	0.0162	0.0378
Loa Loa (eye worm)	hypothetical protein	0.0493	1	1
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0019	0.0162	0.0378
Brugia malayi	hypothetical protein	0.0019	0.0162	0.0378
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0162	0.0162
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0162	0.0162
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0019	0.0162	0.0378
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0019	0.0162	0.0378
Loa Loa (eye worm)	flap endonuclease-1	0.0034	0.0469	0.0469
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0162	0.0162
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0019	0.0162	0.0378
Echinococcus granulosus	neuropeptide receptor	0.0019	0.0162	0.0378
Echinococcus granulosus	g protein coupled receptor	0.0019	0.0162	0.0378
Plasmodium falciparum	DNA repair protein RAD2, putative	0.0039	0.0576	1
Brugia malayi	map kinase activated protein kinase protein 2	0.0217	0.4275	1
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0019	0.0162	0.0378
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0019	0.0162	0.0378
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0019	0.0162	0.0378
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0162	0.0162
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0019	0.0162	0.0378
Brugia malayi	larval opioid receptor	0.0019	0.0162	0.0378
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0019	0.0162	0.0378
Echinococcus granulosus	g protein coupled receptor	0.0019	0.0162	0.0378
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0162	0.0162
Echinococcus granulosus	7tm_1 domain containing protein	0.0019	0.0162	0.0378
Schistosoma mansoni	hypothetical protein	0.0019	0.0162	0.0378
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0162	0.0162
Schistosoma mansoni	opsin-like receptor	0.0019	0.0162	0.0378
Schistosoma mansoni	serine/threonine protein kinase	0.0217	0.4275	1
Brugia malayi	Serotonin receptor	0.0019	0.0162	0.0378
Echinococcus multilocularis	allatostatin A receptor	0.0019	0.0162	0.0378
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0019	0.0162	0.0378
Echinococcus granulosus	neuropeptide receptor	0.0019	0.0162	0.0378
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0162	0.0162
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0019	0.0162	0.0378
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0162	0.0162
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0019	0.0162	0.0378
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0162	0.0162
Echinococcus granulosus	sex peptide receptor	0.0019	0.0162	0.0378
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0019	0.0162	0.0378
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0162	0.0162
Trypanosoma cruzi	flap endonuclease-1 (FEN-1), putative	0.0034	0.0469	1
Echinococcus granulosus	neuropeptide FF receptor 2	0.0019	0.0162	0.0378
Echinococcus multilocularis	serotonin receptor	0.0019	0.0162	0.0378
Schistosoma mansoni	opsin-like receptor	0.0019	0.0162	0.0378

Activities

Activity type	Activity value	Assay description	Source	Reference
AUC (ADMET)	= 88 ng.hr/ml	AUC (0 to infinity) in BALB/c mouse at 1.0 mg/kg, po	ChEMBL.	18221871
AUC (ADMET)	= 88 ng.hr/ml	AUC (0 to infinity) in BALB/c mouse at 1.0 mg/kg, po	ChEMBL.	18221871
AUC (ADMET)	= 525 ng.hr/ml	AUC (0 to infinity) in BALB/c mouse at 0.5 mg/kg, iv	ChEMBL.	18221871
AUC (ADMET)	= 525 ng.hr/ml	AUC (0 to infinity) in BALB/c mouse at 0.5 mg/kg, iv	ChEMBL.	18221871
CL (ADMET)	= 18 %	Clearance in BALB/c mouse at 0.5 mg/kg, iv	ChEMBL.	18221871
CL(%Q) (ADMET)	= 18 %	Clearance in BALB/c mouse at 0.5 mg/kg, iv	ChEMBL.	18221871
Cmax (ADMET)	= 0.06 uM	Cmax in BALB/c mouse at 1.0 mg/kg, po	ChEMBL.	18221871
Cmax (ADMET)	= 0.06 uM	Cmax in BALB/c mouse at 1.0 mg/kg, po	ChEMBL.	18221871
F (ADMET)	= 8 %	Oral bioavailability in BALB/c mouse at 1.0 mg/kg	ChEMBL.	18221871
F (ADMET)	= 8 %	Oral bioavailability in BALB/c mouse at 1.0 mg/kg	ChEMBL.	18221871
IC50 (binding)	= 44 nM	Inhibition of MK2 (unknown origin)	ChEMBL.	18221871
IC50 (binding)	= 44 nM	Inhibition of MK2 (unknown origin)	ChEMBL.	18221871
IC50 (functional)	= 1600 nM	Inhibition of LPS-induced TNFalpha production in human THP1 cells	ChEMBL.	18221871
IC50 (functional)	= 1600 nM	Inhibition of LPS-induced TNFalpha production in human THP1 cells	ChEMBL.	18221871
IC50 (binding)	= 0.044 uM	Inhibition of MK2 after 30 mins by DELFIA	ChEMBL.	17576063
IC50 (binding)	= 0.044 uM	Inhibition of MK2 after 30 mins by DELFIA	ChEMBL.	17576063
IC50 (functional)	= 1.6 uM	Inhibition of LPS-stimulated TNFalpha production in THP1 cells	ChEMBL.	17576063
IC50 (functional)	= 1.6 uM	Inhibition of LPS-stimulated TNFalpha production in THP1 cells	ChEMBL.	17576063
MRT (ADMET)	= 0.8 hr	Mean retention time in BALB/c mouse at 0.5 mg/kg, iv	ChEMBL.	18221871
MRT (ADMET)	= 0.8 hr	Mean retention time in BALB/c mouse at 0.5 mg/kg, iv	ChEMBL.	18221871
Solubility	< 0.1 ug ml-1	Solubility of the compound at pH 7.4	ChEMBL.	18221871

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	17576063

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: CHEMBL246300
PubChem: 44143538

Bibliographic References

2 literature references were collected for this gene.

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Detailed information for compound 457187