TDR Targets

Basic information

Technical information

TDR Targets ID: 414487
Name: 6-anilino-3-(cyclohexylmethyl)-5-(4-methylpip erazin-1-yl)-1H-benzimidazol-2-one
MW: 419.562 | Formula: C25H33N5O
H donors: 2 H acceptors: 1 LogP: 4.59 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CN1CCN(CC1)c1cc2c(cc1Nc1ccccc1)[nH]c(=O)n2CC1CCCCC1
InChi: 1S/C25H33N5O/c1-28-12-14-29(15-13-28)23-17-24-22(16-21(23)26-20-10-6-3-7-11-20)27-25(31)30(24)18-19-8-4-2-5-9-19/h3,6-7,10-11,16-17,19,26H,2,4-5,8-9,12-15,18H2,1H3,(H,27,31)
InChiKey: OHZVAMGTHJQJRP-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

6-anilino-3-(cyclohexylmethyl)-5-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-one
3-(cyclohexylmethyl)-5-(4-methylpiperazin-1-yl)-6-phenylazanyl-1H-benzimidazol-2-one
6-anilino-3-(cyclohexylmethyl)-5-(4-methylpiperazino)-1H-benzimidazol-2-one
3-(cyclohexylmethyl)-5-(4-methylpiperazin-1-yl)-6-(phenylamino)-1H-benzimidazol-2-one
3-(cyclohexylmethyl)-5-(4-methyl-1-piperazinyl)-6-(phenylamino)-1H-benzimidazol-2-one

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.024	0.3182	0.3182
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0197	0.0691	0.0691
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0358	1	1
Onchocerca volvulus		0.0358	1	1
Brugia malayi	Cathepsin L-like precursor	0.0358	1	1
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0197	0.0691	0.0691
Echinococcus multilocularis	allatostatin A receptor	0.0197	0.0691	0.0691
Echinococcus granulosus	serotonin receptor	0.0197	0.0691	0.0691
Echinococcus multilocularis	orexin receptor type 2	0.0197	0.0691	0.0691
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0197	0.0691	0.0691
Echinococcus multilocularis	somatostatin receptor	0.0197	0.0691	0.0691
Brugia malayi	AKH receptor	0.0197	0.0691	0.0691
Echinococcus granulosus	rhodopsin orphan GPCR	0.0197	0.0691	0.0691
Schistosoma mansoni	neuropeptide receptor	0.0197	0.0691	0.0691
Echinococcus multilocularis	neuropeptide s receptor	0.0197	0.0691	0.0691
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0358	1	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0197	0.0691	0.0691
Schistosoma mansoni	hypothetical protein	0.0197	0.0691	0.0691
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0358	1	1
Echinococcus granulosus	fmrfamide receptor	0.0197	0.0691	0.0691
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0197	0.0691	0.0691
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0197	0.0691	0.0691
Echinococcus granulosus	G protein coupled receptor 139	0.0197	0.0691	0.0691
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0358	1	1
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0197	0.0691	0.0691
Brugia malayi	Dopamine receptor	0.0197	0.0691	0.0691
Leishmania major	cathepsin L-like protease	0.0358	1	0.5
Leishmania major	cysteine peptidase A (CPA)	0.0358	1	0.5
Echinococcus granulosus	neuropeptide Y receptor	0.0197	0.0691	0.0691
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0197	0.0691	0.0691
Echinococcus granulosus	neuropeptide receptor	0.0197	0.0691	0.0691
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.024	0.3182	0.3182
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0358	1	1
Brugia malayi	hypothetical protein	0.0197	0.0691	0.0691
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0358	1	1
Schistosoma mansoni	hypothetical protein	0.0197	0.0691	0.0691
Schistosoma mansoni	amine GPCR	0.0197	0.0691	0.0691
Schistosoma mansoni	amine GPCR	0.0197	0.0691	0.0691
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0197	0.0691	0.0691
Schistosoma mansoni	biogenic amine receptor	0.0197	0.0691	0.0691
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0197	0.0691	0.0691
Echinococcus multilocularis	g protein coupled receptor	0.0197	0.0691	0.0691
Echinococcus granulosus	neuropeptide Y receptor	0.0197	0.0691	0.0691
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0197	0.0691	0.0691
Trypanosoma cruzi	cysteine peptidase, putative	0.0358	1	1
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0197	0.0691	0.0691
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0197	0.0691	0.0691
Loa Loa (eye worm)	cysteine protease	0.0358	1	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0358	1	1
Brugia malayi	G-protein coupled receptor	0.0197	0.0691	0.0691
Brugia malayi	G protein-coupled receptor	0.0197	0.0691	0.0691
Loa Loa (eye worm)	ctsf protein	0.0358	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0358	1	1
Leishmania major	cathepsin L-like protease	0.0358	1	0.5
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0197	0.0691	0.0691
Echinococcus granulosus	rhodopsin orphan GPCR	0.0197	0.0691	0.0691
Echinococcus granulosus	cathepsin l1	0.024	0.3182	0.3182
Trypanosoma cruzi	cysteine peptidase, putative	0.0358	1	1
Brugia malayi	Cathepsin L-like precursor	0.0358	1	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0197	0.0691	0.0691
Schistosoma mansoni	histamine h1 receptor	0.0197	0.0691	0.0691
Schistosoma mansoni	opsin-like receptor	0.0197	0.0691	0.0691
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0358	1	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0358	1	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0358	1	1
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0197	0.0691	0.0691
Schistosoma mansoni	biogenic amine receptor	0.0197	0.0691	0.0691
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0197	0.0691	0.0691
Echinococcus granulosus	somatostatin receptor	0.0197	0.0691	0.0691
Brugia malayi	sulfakinin receptor protein	0.0197	0.0691	0.0691
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0358	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0358	1	1
Brugia malayi	Cathepsin L-like precursor	0.024	0.3182	0.3182
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0358	1	1
Echinococcus multilocularis	neuropeptides capa receptor	0.0197	0.0691	0.0691
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0197	0.0691	0.0691
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0197	0.0691	0.0691
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0197	0.0691	0.0691
Brugia malayi	hypothetical protein	0.0197	0.0691	0.0691
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0197	0.0691	0.0691
Echinococcus multilocularis	neuropeptide receptor A26	0.0197	0.0691	0.0691
Loa Loa (eye worm)	hypothetical protein	0.024	0.3182	0.2676
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0358	1	1
Onchocerca volvulus	Cathepsin L homolog	0.0358	1	1
Schistosoma mansoni	amine GPCR	0.0197	0.0691	0.0691
Echinococcus granulosus	dro:myosuppressin receptor	0.0197	0.0691	0.0691
Echinococcus granulosus	rhodopsin orphan GPCR	0.0197	0.0691	0.0691
Brugia malayi	Dopamine receptor protein 2	0.0197	0.0691	0.0691
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.024	0.3182	0.3182
Echinococcus multilocularis	serotonin receptor	0.0197	0.0691	0.0691
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0197	0.0691	0.0691
Brugia malayi	cathepsin L-like precursor	0.024	0.3182	0.3182
Echinococcus granulosus	rhodopsin orphan GPCR	0.0197	0.0691	0.0691
Trypanosoma cruzi	cruzipain precursor, putative	0.0358	1	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0197	0.0691	0.0691
Leishmania major	cathepsin L-like protease	0.0358	1	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0358	1	1
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0197	0.0691	0.0691
Echinococcus multilocularis	sex peptide receptor	0.0197	0.0691	0.0691
Brugia malayi	hypothetical protein	0.0197	0.0691	0.0691
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0358	1	1
Loa Loa (eye worm)	fibroinase	0.0358	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0358	1	1
Brugia malayi	larval opioid receptor	0.0197	0.0691	0.0691
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0358	1	1
Brugia malayi	Papain family cysteine protease containing protein	0.0358	1	1
Echinococcus granulosus	neuropeptide s receptor	0.0197	0.0691	0.0691
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0197	0.0691	0.0691
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0197	0.0691	0.0691
Brugia malayi	hypothetical protein	0.0197	0.0691	0.0691
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0358	1	1
Onchocerca volvulus	Cathepsin L homolog	0.0358	1	1
Brugia malayi	G protein-coupled receptor F59B2.13	0.0197	0.0691	0.0691
Echinococcus multilocularis	g protein coupled receptor	0.0197	0.0691	0.0691
Echinococcus granulosus	sex peptide receptor	0.0197	0.0691	0.0691
Schistosoma mansoni	neuropeptide receptor	0.0197	0.0691	0.0691
Echinococcus granulosus	neuropeptide receptor	0.0197	0.0691	0.0691
Echinococcus multilocularis	cysteine protease	0.0358	1	1
Echinococcus granulosus	g protein coupled receptor	0.0197	0.0691	0.0691
Leishmania major	cathepsin L-like protease	0.0358	1	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0358	1	1
Brugia malayi	RE15519p	0.0197	0.0691	0.0691
Echinococcus multilocularis	cathepsin L cysteine protease	0.0358	1	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0197	0.0691	0.0691
Schistosoma mansoni	cathepsin F (C01 family)	0.024	0.3182	0.3182
Plasmodium vivax	vivapain-2	0.0358	1	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0197	0.0691	0.0691
Echinococcus granulosus	cathepsin l1	0.0358	1	1
Schistosoma mansoni	amine GPCR	0.0197	0.0691	0.0691
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0197	0.0691	0.0691
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0197	0.0691	0.0691
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0197	0.0691	0.0691
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0358	1	1
Brugia malayi	Melatonin receptor type 1A	0.0197	0.0691	0.0691
Brugia malayi	hypothetical protein	0.0197	0.0691	0.0691
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0197	0.0691	0.0691
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0358	1	1
Onchocerca volvulus		0.0358	1	1
Echinococcus multilocularis	g-protein coupled receptor	0.0197	0.0691	0.0691
Schistosoma mansoni	neuropeptide F-like receptor	0.0197	0.0691	0.0691
Echinococcus granulosus	tm gpcr rhodopsin	0.0197	0.0691	0.0691
Echinococcus granulosus	tm gpcr rhodopsin	0.0197	0.0691	0.0691
Schistosoma mansoni	adenoreceptor	0.0197	0.0691	0.0691
Echinococcus granulosus	g protein coupled receptor	0.0197	0.0691	0.0691
Brugia malayi	Dopamine receptor protein 1	0.0197	0.0691	0.0691
Toxoplasma gondii	cathepsin CPL	0.0358	1	0.5
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0197	0.0691	0.0691
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0197	0.0691	0.0691
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0358	1	1
Echinococcus granulosus	hypothetical protein	0.0197	0.0691	0.0691
Echinococcus granulosus	g protein coupled receptor	0.0197	0.0691	0.0691
Echinococcus granulosus	neuropeptide FF receptor 2	0.0197	0.0691	0.0691
Brugia malayi	Cathepsin L-like precursor	0.0358	1	1
Echinococcus granulosus	tm gpcr rhodopsin	0.0197	0.0691	0.0691
Brugia malayi	neuropeptide F receptor	0.0197	0.0691	0.0691
Echinococcus multilocularis	neuropeptides capa receptor	0.0197	0.0691	0.0691
Brugia malayi	Cathepsin L-like precursor	0.0358	1	1
Echinococcus granulosus	biogenic amine 5HT receptor	0.0197	0.0691	0.0691
Echinococcus granulosus	rhodopsin orphan GPCR	0.0197	0.0691	0.0691
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0197	0.0691	0.0691
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0197	0.0691	0.0691
Echinococcus multilocularis	neuropeptide Y receptor	0.0197	0.0691	0.0691
Schistosoma mansoni	biogenic amine receptor	0.0197	0.0691	0.0691
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0358	1	1
Brugia malayi	putative neuropeptide receptor	0.0197	0.0691	0.0691
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0358	1	1
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0197	0.0691	0.0691
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0358	1	1
Echinococcus multilocularis	fmrfamide receptor	0.0197	0.0691	0.0691
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0197	0.0691	0.0691
Schistosoma mansoni	neuropeptide f receptor 76f	0.0197	0.0691	0.0691
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0358	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0358	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0358	1	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0197	0.0691	0.0691
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0197	0.0691	0.0691
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0358	1	1
Brugia malayi	hypothetical protein	0.0197	0.0691	0.0691
Entamoeba histolytica	cysteine proteinase, putative	0.0358	1	1
Echinococcus multilocularis	neuropeptide receptor	0.0197	0.0691	0.0691
Echinococcus multilocularis	dro:myosuppressin receptor	0.0197	0.0691	0.0691
Echinococcus multilocularis	G protein coupled receptor 139	0.0197	0.0691	0.0691
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0197	0.0691	0.0691
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0197	0.0691	0.0691
Brugia malayi	Cathepsin L-like cysteine proteinase	0.024	0.3182	0.3182
Onchocerca volvulus		0.0358	1	1
Echinococcus granulosus	neuropeptides capa receptor	0.0197	0.0691	0.0691
Echinococcus granulosus	neuropeptide receptor A26	0.0197	0.0691	0.0691
Echinococcus multilocularis	serotonin receptor	0.0197	0.0691	0.0691
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0358	1	1
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0197	0.0691	0.0691
Brugia malayi	Cathepsin L-like precursor	0.0358	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0358	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0358	1	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0197	0.0691	0.0691
Schistosoma mansoni	hypothetical protein	0.0197	0.0691	0.0691
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0197	0.0691	0.0691
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0358	1	1
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0197	0.0691	0.0691
Brugia malayi	neuropeptide F receptor	0.0197	0.0691	0.0691
Echinococcus granulosus	7TM GPCR rhodopsin	0.0197	0.0691	0.0691
Entamoeba histolytica	cysteine proteinase, putative	0.0358	1	1
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0197	0.0691	0.0691
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0358	1	1
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0197	0.0691	0.0691
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0197	0.0691	0.0691
Loa Loa (eye worm)	hypothetical protein	0.0358	1	1
Onchocerca volvulus		0.0358	1	1
Brugia malayi	Serotonin receptor	0.0197	0.0691	0.0691
Schistosoma mansoni	growth hormone secretagogue receptor	0.0197	0.0691	0.0691
Entamoeba histolytica	cysteine proteinase, putative	0.024	0.3182	0.3182
Brugia malayi	putative neuropeptide receptor NPR1	0.0197	0.0691	0.0691
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0197	0.0691	0.0691
Brugia malayi	hypothetical protein	0.0197	0.0691	0.0691
Schistosoma mansoni	myosin xvIII	0.0197	0.0691	0.0691
Echinococcus granulosus	rhodopsin orphan GPCR	0.0197	0.0691	0.0691
Onchocerca volvulus		0.0358	1	1
Brugia malayi	GnHR receptor homolog	0.0197	0.0691	0.0691
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0358	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0358	1	1
Echinococcus multilocularis	cysteine protease	0.0358	1	1
Loa Loa (eye worm)	hypothetical protein	0.024	0.3182	0.2676
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0197	0.0691	0.0691
Schistosoma mansoni	hypothetical protein	0.0197	0.0691	0.0691
Leishmania major	cathepsin L-like protease	0.0358	1	0.5
Echinococcus granulosus	g-protein coupled receptor	0.0197	0.0691	0.0691
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0358	1	1
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0197	0.0691	0.0691
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0197	0.0691	0.0691
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0358	1	1
Schistosoma mansoni	opsin-like receptor	0.0197	0.0691	0.0691
Onchocerca volvulus	Cathepsin F homolog	0.0358	1	1
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0197	0.0691	0.0691
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0197	0.0691	0.0691
Echinococcus multilocularis	g protein coupled receptor	0.0197	0.0691	0.0691
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0358	1	1
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0197	0.0691	0.0691
Brugia malayi	Serotonin receptor	0.0197	0.0691	0.0691
Brugia malayi	hypothetical protein	0.0197	0.0691	0.0691
Echinococcus granulosus	orexin receptor type 2	0.0197	0.0691	0.0691
Loa Loa (eye worm)	hypothetical protein	0.024	0.3182	0.2676
Leishmania major	cathepsin L-like protease	0.0358	1	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0197	0.0691	0.0691
Entamoeba histolytica	cysteine protease, putative	0.0358	1	1
Brugia malayi	hypothetical protein	0.0197	0.0691	0.0691
Onchocerca volvulus		0.024	0.3182	0.2676
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0197	0.0691	0.0691
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0358	1	1
Echinococcus granulosus	biogenic amine 5HT receptor	0.0197	0.0691	0.0691
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0197	0.0691	0.0691
Schistosoma mansoni	amine GPCR	0.0197	0.0691	0.0691
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0358	1	1
Echinococcus multilocularis	neuropeptide Y receptor	0.0197	0.0691	0.0691
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0197	0.0691	0.0691
Plasmodium vivax	vivapain-2	0.0358	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0358	1	1
Leishmania major	cathepsin L-like protease	0.0358	1	0.5
Schistosoma mansoni	neuropeptide receptor	0.0197	0.0691	0.0691
Onchocerca volvulus		0.0358	1	1
Echinococcus granulosus	neuropeptides capa receptor	0.0197	0.0691	0.0691
Echinococcus multilocularis	neuropeptide receptor	0.0197	0.0691	0.0691
Brugia malayi	G-protein coupled receptor	0.0197	0.0691	0.0691
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0197	0.0691	0.0691
Echinococcus multilocularis	cathepsin L cysteine protease	0.0358	1	1
Schistosoma mansoni	neuropeptide receptor	0.0197	0.0691	0.0691
Brugia malayi	Cathepsin L-like precursor	0.024	0.3182	0.3182
Echinococcus granulosus	7tm_1 domain containing protein	0.0197	0.0691	0.0691
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0197	0.0691	0.0691
Brugia malayi	ORL1-like opioid receptor	0.0197	0.0691	0.0691
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0197	0.0691	0.0691
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0358	1	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0197	0.0691	0.0691
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0358	1	1
Brugia malayi	hypothetical protein	0.0197	0.0691	0.0691
Schistosoma mansoni	opsin-like receptor	0.0197	0.0691	0.0691
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0358	1	1
Echinococcus multilocularis	fmrfamide receptor	0.0197	0.0691	0.0691
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0358	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0358	1	1
Schistosoma mansoni	neuropeptide F-like receptor	0.0197	0.0691	0.0691
Brugia malayi	follicle stimulating hormone receptor	0.0197	0.0691	0.0691
Onchocerca volvulus		0.0358	1	1
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0197	0.0691	0.0691
Echinococcus granulosus	allatostatin A receptor	0.0197	0.0691	0.0691
Leishmania major	cathepsin L-like protease	0.0358	1	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 150 nM	Inhibition of LPS-stimulated TNFalpha production in THP1 cells	ChEMBL.	17010605
EC50 (functional)	= 150 nM	Inhibition of LPS-stimulated TNFalpha production in THP1 cells	ChEMBL.	17010605
Solubility	= 5.7 uM	Aqueous solubility at pH 7.4	ChEMBL.	17010605

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	17010605

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

PubChem: 21937749

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 414487