TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 408.536 | Formula: C24H32N4O2
H donors: 3 H acceptors: 3 LogP: 5.04 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CCCCCCCOc1cccc(c1c1cc(C2CCNCC2)c(c(n1)N)C#N)O
InChi: 1S/C24H32N4O2/c1-2-3-4-5-6-14-30-22-9-7-8-21(29)23(22)20-15-18(17-10-12-27-13-11-17)19(16-25)24(26)28-20/h7-9,15,17,27,29H,2-6,10-14H2,1H3,(H2,26,28)
InChiKey: CHGDFHFPFZBZLC-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
Homo sapiens	inhibitor of kappa light polypeptide gene enhancer in B-cells, kinase beta	Starlite/ChEMBL	References

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
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0426	0.1018
Onchocerca volvulus		0.0082	0.0426	0.2092
Echinococcus multilocularis	somatostatin receptor	0.0082	0.0426	0.0426
Schistosoma mansoni	neuropeptide F-like receptor	0.0082	0.0426	0.1177
Loa Loa (eye worm)	calpain family protein 1	0.0255	0.2036	0.5547
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0082	0.0426	0.0426
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0057	0.0201	0.1965
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0319	0.263	0.263
Onchocerca volvulus		0.0082	0.0426	0.2092
Brugia malayi	hypothetical protein	0.0082	0.0426	0.1177
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0057	0.0201	0.1965
Loa Loa (eye worm)	TYRA-2 protein	0.0082	0.0426	0.1018
Schistosoma mansoni	hypothetical protein	0.0173	0.1274	0.352
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0096	0.0562	0.1554
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0146	0.1024	0.2831
Schistosoma mansoni	neuropeptide receptor	0.0082	0.0426	0.1177
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0255	0.2036	0.5626
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0082	0.0426	0.0426
Echinococcus multilocularis	G protein coupled receptor 139	0.0082	0.0426	0.0426
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0426	0.1018
Trypanosoma cruzi	calpain cysteine peptidase, putative	0.0096	0.0562	0.1554
Brugia malayi	Cathepsin L-like precursor	0.0057	0.0201	0.0556
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0267	0.2143	0.5922
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0057	0.0201	0.0201
Echinococcus granulosus	g protein coupled receptor	0.0082	0.0426	0.0426
Brugia malayi	Cathepsin L-like precursor	0.0057	0.0201	0.0556
Onchocerca volvulus		0.0057	0.0201	0.0793
Echinococcus granulosus	g-protein coupled receptor	0.0082	0.0426	0.0426
Echinococcus granulosus	rhodopsin orphan GPCR	0.0082	0.0426	0.0426
Echinococcus multilocularis	cathepsin b	0.0426	0.3619	0.3619
Echinococcus granulosus	rhodopsin orphan GPCR	0.0082	0.0426	0.0426
Loa Loa (eye worm)	cysteine protease	0.0057	0.0201	0.0386
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0426	0.3619	1
Trypanosoma brucei	calpain-like protein, putative	0.0096	0.0562	0.549
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0426	0.1018
Echinococcus granulosus	neuropeptides capa receptor	0.0082	0.0426	0.0426
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0426	0.1018
Echinococcus granulosus	neuropeptide Y receptor	0.0082	0.0426	0.0426
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0082	0.0426	0.1177
Leishmania major	calpain, putative,cysteine peptidase, Clan CA, family C2, putative	0.0096	0.0562	0.4387
Brugia malayi	putative neuropeptide receptor	0.0082	0.0426	0.1177
Giardia lamblia	Cathepsin B precursor	0.0146	0.1024	0.5
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0082	0.0426	0.0426
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0082	0.0426	0.0426
Loa Loa (eye worm)	hypothetical protein	0.0135	0.0921	0.241
Brugia malayi	Cathepsin L-like precursor	0.0057	0.0201	0.0556
Brugia malayi	Cathepsin L-like precursor	0.0057	0.0201	0.0556
Onchocerca volvulus		0.0082	0.0426	0.2092
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0082	0.0426	0.0426
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0082	0.0426	0.1177
Brugia malayi	larval opioid receptor	0.0082	0.0426	0.1177
Echinococcus granulosus	geminin	0.0173	0.1274	0.1274
Brugia malayi	hypothetical protein	0.0082	0.0426	0.1177
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0043	0.0064	0.0177
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0426	0.1018
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0426	0.1018
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0082	0.0426	0.1177
Loa Loa (eye worm)	fibroinase	0.0057	0.0201	0.0386
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0057	0.0201	0.1965
Schistosoma mansoni	calpain C (C02 family)	0.0096	0.0562	0.1554
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0082	0.0426	0.0426
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0082	0.0426	0.0426
Echinococcus multilocularis	allatostatin A receptor	0.0229	0.1794	0.1794
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0057	0.0201	0.1965
Brugia malayi	hypothetical protein	0.0082	0.0426	0.1177
Brugia malayi	hypothetical protein	0.0082	0.0426	0.1177
Brugia malayi	Melatonin receptor type 1A	0.0082	0.0426	0.1177
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0057	0.0201	1
Onchocerca volvulus	Cathepsin L homolog	0.0057	0.0201	0.0793
Brugia malayi	Dopamine receptor protein 1	0.0082	0.0426	0.1177
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0043	0.0064	0.0625
Brugia malayi	Cell death protein 3 precursor	0.0062	0.0241	0.0667
Echinococcus multilocularis	neuropeptide Y receptor	0.0082	0.0426	0.0426
Brugia malayi	hypothetical protein	0.0082	0.0426	0.1177
Brugia malayi	calpain family protein 1	0.0255	0.2036	0.5626
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0426	0.1018
Echinococcus granulosus	cathepsin l1	0.0057	0.0201	0.0201
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0057	0.0201	0.1965
Schistosoma mansoni	neuropeptide f receptor 76f	0.0082	0.0426	0.1177
Brugia malayi	G protein-coupled receptor F59B2.13	0.0082	0.0426	0.1177
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0057	0.0201	0.1965
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0426	0.1018
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0057	0.0201	0.1965
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0426	0.1018
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0426	0.1018
Echinococcus multilocularis	apoptotic protease activating factor 1	0.0062	0.0241	0.0241
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0096	0.0562	0.1554
Schistosoma mansoni	adenoreceptor	0.0082	0.0426	0.1177
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0082	0.0426	0.1177
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0057	0.0201	0.1965
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0082	0.0426	0.1018
Brugia malayi	hypothetical protein	0.0062	0.0241	0.0667
Echinococcus multilocularis	neuropeptide Y receptor	0.0082	0.0426	0.0426
Brugia malayi	Cathepsin L-like precursor	0.0043	0.0064	0.0177
Echinococcus multilocularis	fmrfamide receptor	0.0082	0.0426	0.0426
Onchocerca volvulus		0.0082	0.0426	0.2092
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0082	0.0426	0.1018
Echinococcus granulosus	dro:myosuppressin receptor	0.0082	0.0426	0.0426
Echinococcus multilocularis	family C2 unassigned peptidase (C02 family)	0.0267	0.2143	0.2143
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0082	0.0426	0.0426
Loa Loa (eye worm)	cathepsin B	0.0146	0.1024	0.2702
Brugia malayi	hypothetical protein	0.0082	0.0426	0.1177
Echinococcus multilocularis	fmrfamide receptor	0.0082	0.0426	0.0426
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0426	0.1018
Loa Loa (eye worm)	hypothetical protein	0.0135	0.0921	0.241
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0057	0.0201	0.1965
Onchocerca volvulus	Cathepsin F homolog	0.0057	0.0201	0.0793
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0082	0.0426	0.0426
Brugia malayi	hypothetical protein	0.0082	0.0426	0.1177
Schistosoma mansoni	opsin-like receptor	0.0082	0.0426	0.1177
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0096	0.0562	0.1554
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0057	0.0201	0.0386
Onchocerca volvulus		0.0229	0.1794	1
Loa Loa (eye worm)	hypothetical protein	0.0106	0.0654	0.166
Entamoeba histolytica	cysteine proteinase, putative	0.0057	0.0201	0.6766
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0082	0.0426	0.0426
Echinococcus granulosus	g protein coupled receptor	0.0082	0.0426	0.0426
Echinococcus multilocularis	cysteine protease	0.0057	0.0201	0.0201
Loa Loa (eye worm)	calpain family protein 1	0.0188	0.1412	0.3791
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0057	0.0201	0.1965
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0057	0.0201	0.1965
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0082	0.0426	0.1018
Echinococcus granulosus	orexin receptor type 2	0.0082	0.0426	0.0426
Brugia malayi	Dopamine receptor protein 2	0.0082	0.0426	0.1177
Brugia malayi	calpain 7	0.0096	0.0562	0.1554
Echinococcus granulosus	cathepsin b	0.0426	0.3619	0.3619
Trypanosoma cruzi	kinesin, putative	0.0067	0.0294	0.0813
Echinococcus granulosus	rhodopsin orphan GPCR	0.0082	0.0426	0.0426
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0057	0.0201	0.1965
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0082	0.0426	0.0426
Echinococcus granulosus	sex peptide receptor	0.0082	0.0426	0.0426
Echinococcus granulosus	biogenic amine 5HT receptor	0.0082	0.0426	0.0426
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0146	0.1024	1
Schistosoma mansoni	amine GPCR	0.0082	0.0426	0.1177
Schistosoma mansoni	biogenic amine receptor	0.0082	0.0426	0.1177
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0057	0.0201	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0082	0.0426	0.1177
Echinococcus granulosus	cathepsin l1	0.0043	0.0064	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0426	0.1018
Onchocerca volvulus	Cathepsin L homolog	0.0057	0.0201	0.0793
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0426	0.1018
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0057	0.0201	0.0201
Echinococcus multilocularis	calpain 5	0.0096	0.0562	0.0562
Echinococcus multilocularis	g-protein coupled receptor	0.0082	0.0426	0.0426
Brugia malayi	G-protein coupled receptor	0.0082	0.0426	0.1177
Entamoeba histolytica	cysteine protease, putative	0.0057	0.0201	0.6766
Echinococcus multilocularis	calpain 7 (C02 family)	0.0096	0.0562	0.0562
Echinococcus granulosus	neuropeptide FF receptor 2	0.0082	0.0426	0.0426
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0146	0.1024	0.2831
Onchocerca volvulus		0.0082	0.0426	0.2092
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0057	0.0201	0.1965
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0082	0.0426	0.0426
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0082	0.0426	0.1177
Brugia malayi	Papain family cysteine protease containing protein	0.0057	0.0201	0.0556
Onchocerca volvulus		0.0062	0.0241	0.1024
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0082	0.0426	0.0426
Schistosoma mansoni	histamine h1 receptor	0.0082	0.0426	0.1177
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0082	0.0426	0.1177
Brugia malayi	hypothetical protein	0.0082	0.0426	0.1177
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0241	0.0498
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0057	0.0201	0.1965
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0082	0.0426	0.0426
Echinococcus multilocularis	cysteine protease	0.0057	0.0201	0.0201
Echinococcus multilocularis	neuropeptides capa receptor	0.0082	0.0426	0.0426
Echinococcus multilocularis	neuropeptide s receptor	0.0082	0.0426	0.0426
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0082	0.0426	0.1177
Schistosoma mansoni	myosin xvIII	0.0082	0.0426	0.1177
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0082	0.0426	0.0426
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0426	0.1018
Echinococcus granulosus	neuropeptide receptor	0.0082	0.0426	0.0426
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0426	0.1018
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0082	0.0426	0.1018
Echinococcus granulosus	G protein coupled receptor 139	0.0082	0.0426	0.0426
Brugia malayi	sulfakinin receptor protein	0.0082	0.0426	0.1177
Brugia malayi	cathepsin B-like cysteine proteinase	0.0426	0.3619	1
Schistosoma mansoni	calpain-7 (C02 family)	0.0096	0.0562	0.1554
Onchocerca volvulus		0.0082	0.0426	0.2092
Onchocerca volvulus		0.0082	0.0426	0.2092
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0082	0.0426	0.0426
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0057	0.0201	0.1965
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0057	0.0201	0.0386
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0201	0.0386
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0057	0.0201	0.1965
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0057	0.0201	0.1965
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0082	0.0426	0.0426
Entamoeba histolytica	cysteine proteinase, putative	0.0043	0.0064	0.2153
Echinococcus granulosus	biogenic amine 5HT receptor	0.0082	0.0426	0.0426
Echinococcus multilocularis	caspase 2	0.0062	0.0241	0.0241
Echinococcus granulosus	neuropeptide receptor	0.0082	0.0426	0.0426
Brugia malayi	calpain family protein 1	0.0255	0.2036	0.5626
Echinococcus granulosus	somatostatin receptor	0.0082	0.0426	0.0426
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0057	0.0201	0.1965
Echinococcus granulosus	7TM GPCR rhodopsin	0.0082	0.0426	0.0426
Brugia malayi	Cathepsin L-like precursor	0.0057	0.0201	0.0556
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0426	0.1018
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0082	0.0426	0.1177
Entamoeba histolytica	protein kinase, putative	0.0068	0.0298	1
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0426	0.1018
Echinococcus multilocularis	cathepsin L cysteine protease	0.0057	0.0201	0.0201
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0057	0.0201	0.1965
Onchocerca volvulus		0.0057	0.0201	0.0793
Trypanosoma brucei	cysteine peptidase, Clan CA, family C2, putative	0.0096	0.0562	0.549
Echinococcus multilocularis	cathepsin b	0.0426	0.3619	0.3619
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0241	0.0498
Brugia malayi	AKH receptor	0.0082	0.0426	0.1177
Loa Loa (eye worm)	hypothetical protein	0.0255	0.2036	0.5547
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0426	0.1018
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0082	0.0426	0.1177
Onchocerca volvulus		0.0159	0.1143	0.6238
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0426	0.1018
Giardia lamblia	Cathepsin B precursor	0.0146	0.1024	0.5
Trypanosoma brucei	calpain-like protein, putative	0.0096	0.0562	0.549
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0057	0.0201	0.1965
Trypanosoma cruzi	kinesin, putative	0.0067	0.0294	0.0813
Brugia malayi	calpain 5	0.0067	0.0294	0.0813
Echinococcus granulosus	serotonin receptor	0.0082	0.0426	0.0426
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0057	0.0201	0.1965
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0082	0.0426	0.0426
Onchocerca volvulus		0.0118	0.0768	0.4068
Trypanosoma cruzi	cruzipain precursor, putative	0.0057	0.0201	0.0556
Onchocerca volvulus		0.0057	0.0201	0.0793
Echinococcus granulosus	rhodopsin orphan GPCR	0.0082	0.0426	0.0426
Trypanosoma cruzi	cysteine peptidase, putative	0.0057	0.0201	0.0556
Loa Loa (eye worm)	melatonin receptor type 1A	0.0082	0.0426	0.1018
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0082	0.0426	0.2092
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.1114	1	1
Trypanosoma brucei	antigen, putative	0.0096	0.0562	0.549
Loa Loa (eye worm)	peptidase family M1 containing protein	0.0096	0.0558	0.1391
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0057	0.0201	0.1965
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0846	0.7517	0.7517
Echinococcus granulosus	rhodopsin orphan GPCR	0.0082	0.0426	0.0426
Schistosoma mansoni	hypothetical protein	0.0082	0.0426	0.1177
Schistosoma mansoni	neuropeptide receptor	0.0082	0.0426	0.1177
Echinococcus multilocularis	serotonin receptor	0.0082	0.0426	0.0426
Schistosoma mansoni	cathepsin F (C01 family)	0.0043	0.0064	0.0177
Schistosoma mansoni	cathepsin F (C01 family)	0.0057	0.0201	0.0556
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0082	0.0426	0.1018
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0426	0.1018
Onchocerca volvulus		0.0082	0.0426	0.2092
Onchocerca volvulus		0.0057	0.0201	0.0793
Brugia malayi	putative neuropeptide receptor NPR1	0.0082	0.0426	0.1177
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0057	0.0201	0.1965
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0082	0.0426	0.1177
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0082	0.0426	0.1177
Onchocerca volvulus		0.0057	0.0201	0.0793
Echinococcus multilocularis	g protein coupled receptor	0.0082	0.0426	0.0426
Onchocerca volvulus		0.0082	0.0426	0.2092
Brugia malayi	hypothetical protein	0.0082	0.0426	0.1177
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0082	0.0426	0.0426
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0057	0.0201	0.1965
Schistosoma mansoni	hypothetical protein	0.0082	0.0426	0.1177
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0082	0.0426	0.2092
Echinococcus granulosus	hypothetical protein	0.0082	0.0426	0.0426
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0082	0.0426	0.0426
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0267	0.2143	0.5922
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0057	0.0201	0.1965
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0426	0.1018
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0043	0.0064	0.0177
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0229	0.1794	0.4958
Brugia malayi	neuropeptide F receptor	0.0082	0.0426	0.1177
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0426	0.1018
Echinococcus granulosus	tm gpcr rhodopsin	0.0082	0.0426	0.0426
Echinococcus granulosus	calpain	0.0096	0.0562	0.0562
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0057	0.0201	0.1965
Onchocerca volvulus	Deterin homolog	0.0135	0.0921	0.4952
Trypanosoma cruzi	cysteine peptidase, putative	0.0057	0.0201	0.0556
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0426	0.1018
Schistosoma mansoni	hypothetical protein	0.0082	0.0426	0.1177
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0096	0.0562	0.1554
Trypanosoma brucei	kinesin, putative	0.0067	0.0294	0.2871
Echinococcus granulosus	neuropeptide s receptor	0.0082	0.0426	0.0426
Echinococcus granulosus	calpain A	0.0096	0.0562	0.0562
Loa Loa (eye worm)	ctsf protein	0.0057	0.0201	0.0386
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0082	0.0426	0.1177
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0426	0.1018
Trypanosoma cruzi	cysteine peptidase, putative	0.0057	0.0201	0.0556
Onchocerca volvulus		0.0082	0.0426	0.2092
Entamoeba histolytica	calpain large subunit domain III containing protein	0.0067	0.0294	0.9884
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0426	0.1018
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0054	0.0172	0.0474
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0082	0.0426	0.0426
Schistosoma mansoni	hypothetical protein	0.0082	0.0426	0.1177
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0426	0.1018
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0082	0.0426	0.0426
Echinococcus granulosus	allatostatin A receptor	0.0229	0.1794	0.1794
Brugia malayi	G-protein coupled receptor	0.0082	0.0426	0.1177
Brugia malayi	Serotonin receptor	0.0082	0.0426	0.1177
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0082	0.0426	0.1177
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0082	0.0426	0.1177
Echinococcus multilocularis	aminopeptidase N	0.0118	0.0768	0.0768
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0082	0.0426	0.1177
Echinococcus multilocularis	geminin	0.0173	0.1274	0.1274
Schistosoma mansoni	amine GPCR	0.0082	0.0426	0.1177
Schistosoma mansoni	hypothetical protein	0.0173	0.1274	0.352
Echinococcus multilocularis	dro:myosuppressin receptor	0.0082	0.0426	0.0426
Schistosoma mansoni	inhibitor of apoptosis protein	0.0135	0.0921	0.2545
Echinococcus multilocularis	orexin receptor type 2	0.0082	0.0426	0.0426
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0096	0.0562	0.549
Echinococcus multilocularis	neuropeptide receptor A26	0.0082	0.0426	0.0426
Echinococcus granulosus	baculoviral IAP repeat containing protein	0.0135	0.0921	0.0921
Brugia malayi	Serotonin receptor	0.0082	0.0426	0.1177
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0096	0.0562	0.1554
Plasmodium vivax	calpain, putative	0.0096	0.0562	1
Schistosoma mansoni	calpain-7 (C02 family)	0.0096	0.0562	0.1554
Toxoplasma gondii	cathepsin B	0.0146	0.1024	1
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0096	0.0562	0.1554
Leishmania major	kinesin, putative	0.0067	0.0294	0.1127
Echinococcus granulosus	fmrfamide receptor	0.0082	0.0426	0.0426
Trypanosoma brucei	calpain-like protein, putative	0.0096	0.0562	0.549
Echinococcus multilocularis	g protein coupled receptor	0.0082	0.0426	0.0426
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0426	0.1018
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0082	0.0426	0.0426
Loa Loa (eye worm)	G-protein coupled receptor	0.0082	0.0426	0.1018
Brugia malayi	Cathepsin L-like precursor	0.0043	0.0064	0.0177
Schistosoma mansoni	amine GPCR	0.0082	0.0426	0.1177
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0426	0.1018
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0082	0.0426	0.1177
Entamoeba histolytica	cysteine proteinase, putative	0.0057	0.0201	0.6766
Loa Loa (eye worm)	hypothetical protein	0.0159	0.1143	0.3036
Onchocerca volvulus	Cell death protein 3 homolog	0.0062	0.0241	0.1024
Onchocerca volvulus		0.0082	0.0426	0.2092
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0082	0.0426	0.0426
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0082	0.0426	0.0426
Onchocerca volvulus		0.0057	0.0201	0.0793
Onchocerca volvulus		0.0082	0.0426	0.2092
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0426	0.1018
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0082	0.0426	0.1177
Echinococcus multilocularis	inhibitor of apoptosis protein	0.0135	0.0921	0.0921
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0319	0.263	0.7269
Loa Loa (eye worm)	hypothetical protein	0.0226	0.1767	0.4792
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0057	0.0201	0.1965
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0096	0.0562	0.1554
Brugia malayi	cathepsin L-like precursor	0.0043	0.0064	0.0177
Brugia malayi	Peptidase family M1 containing protein	0.0118	0.0768	0.2122
Brugia malayi	Inhibitor of Apoptosis domain containing protein	0.0135	0.0921	0.2545
Onchocerca volvulus		0.0082	0.0426	0.2092
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0426	0.1018
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0426	0.3619	1
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0426	0.1018
Loa Loa (eye worm)	neuropeptide F receptor	0.0082	0.0426	0.1018
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0082	0.0426	0.0426
Loa Loa (eye worm)	G-protein coupled receptor	0.0082	0.0426	0.1018
Schistosoma mansoni	biogenic amine receptor	0.0082	0.0426	0.1177
Echinococcus granulosus	tm gpcr rhodopsin	0.0082	0.0426	0.0426
Schistosoma mansoni	amine GPCR	0.0082	0.0426	0.1177
Echinococcus granulosus	neuropeptide receptor A26	0.0082	0.0426	0.0426
Schistosoma mansoni	hypothetical protein	0.0135	0.0921	0.2545
Trypanosoma cruzi	cysteine peptidase, putative	0.0057	0.0201	0.0556
Echinococcus multilocularis	calpain A	0.0267	0.2143	0.2143
Echinococcus granulosus	rhodopsin orphan GPCR	0.0082	0.0426	0.0426
Schistosoma mansoni	inhibitor of apoptosis (iap) domain family member	0.0135	0.0921	0.2545
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0082	0.0426	0.1177
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0426	0.1018
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0426	0.3619	1
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0426	0.1018
Schistosoma mansoni	hypothetical protein	0.0062	0.0241	0.0667
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0082	0.0426	0.0426
Echinococcus multilocularis	neuropeptide receptor	0.0082	0.0426	0.0426
Brugia malayi	G protein-coupled receptor	0.0082	0.0426	0.1177
Echinococcus granulosus	g protein coupled receptor	0.0082	0.0426	0.0426
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0082	0.0426	0.1177
Onchocerca volvulus		0.0082	0.0426	0.2092
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0426	0.3619	1
Echinococcus multilocularis	calpain	0.0096	0.0562	0.0562
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0057	0.0201	0.0201
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0082	0.0426	0.1177
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0426	0.1018
Brugia malayi	hypothetical protein	0.0082	0.0426	0.1177
Brugia malayi	ORL1-like opioid receptor	0.0082	0.0426	0.1177
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0057	0.0201	0.1965
Schistosoma mansoni	Mername-AA248 (C02 family)	0.0096	0.0562	0.1554
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0082	0.0426	0.1177
Echinococcus multilocularis	hypothetical protein	0.0096	0.0562	0.0562
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0057	0.0201	0.1965
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0082	0.0426	0.0426
Brugia malayi	Cathepsin L-like precursor	0.0057	0.0201	0.0556
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0146	0.1024	1
Echinococcus granulosus	neuropeptide Y receptor	0.0082	0.0426	0.0426
Brugia malayi	GnHR receptor homolog	0.0082	0.0426	0.1177
Echinococcus granulosus	neuropeptides capa receptor	0.0082	0.0426	0.0426
Echinococcus granulosus	caspase 2	0.0062	0.0241	0.0241
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0082	0.0426	0.1177
Brugia malayi	Inhibitor of Apoptosis domain containing protein	0.0135	0.0921	0.2545
Echinococcus granulosus	calpain A	0.0267	0.2143	0.2143
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0426	0.1018
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0426	0.1018
Schistosoma mansoni	cathepsin F (C01 family)	0.0057	0.0201	0.0556
Echinococcus multilocularis	g protein coupled receptor	0.0082	0.0426	0.0426
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0082	0.0426	0.1177
Onchocerca volvulus		0.0135	0.0921	0.4952
Loa Loa (eye worm)	calpain 5	0.0067	0.0294	0.0647
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0426	0.3619	1
Schistosoma mansoni	neuropeptide receptor	0.0082	0.0426	0.1177
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0043	0.0064	0.0625
Trypanosoma brucei	calpain-like protein, putative	0.0096	0.0562	0.549
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0057	0.0201	0.1965
Schistosoma mansoni	calpain (C02 family)	0.0096	0.0562	0.1554
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0057	0.0201	0.1965
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0057	0.0201	0.1965
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0082	0.0426	0.1177
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0426	0.1018
Loa Loa (eye worm)	hypothetical protein	0.0229	0.1794	0.4867
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0057	0.0201	0.1965
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0426	0.1018
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0096	0.0562	0.1554
Brugia malayi	RE15519p	0.0082	0.0426	0.1177
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0057	0.0201	0.0201
Brugia malayi	neuropeptide F receptor	0.0082	0.0426	0.1177
Echinococcus multilocularis	serotonin receptor	0.0082	0.0426	0.0426
Loa Loa (eye worm)	hypothetical protein	0.0426	0.3619	1
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0096	0.0562	0.1554
Echinococcus granulosus	family C2 unassigned peptidase C02 family	0.0267	0.2143	0.2143
Echinococcus granulosus	calpain 7 C02 family	0.0096	0.0562	0.0562
Onchocerca volvulus		0.0082	0.0426	0.2092
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0057	0.0201	0.1965
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0082	0.0426	0.1177
Echinococcus multilocularis	neuropeptides capa receptor	0.0082	0.0426	0.0426
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0146	0.1024	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0082	0.0426	0.1177
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0445	0.1071
Echinococcus multilocularis	cathepsin L cysteine protease	0.0057	0.0201	0.0201
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0057	0.0201	0.1965
Schistosoma mansoni	growth hormone secretagogue receptor	0.0082	0.0426	0.1177
Onchocerca volvulus		0.0082	0.0426	0.2092
Echinococcus granulosus	apoptotic protease activating factor 1	0.0062	0.0241	0.0241
Loa Loa (eye worm)	neuropeptide F receptor	0.0082	0.0426	0.1018
Echinococcus granulosus	calpain 5	0.0096	0.0562	0.0562
Plasmodium vivax	vivapain-2	0.0057	0.0201	0.358
Schistosoma mansoni	neuropeptide F-like receptor	0.0082	0.0426	0.1177
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0082	0.0426	0.1177
Echinococcus granulosus	aminopeptidase N	0.0118	0.0768	0.0768
Echinococcus multilocularis	sex peptide receptor	0.0082	0.0426	0.0426
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0082	0.0426	0.0426
Schistosoma mansoni	caspase-7 (C14 family)	0.0062	0.0241	0.0667
Echinococcus granulosus	rhodopsin orphan GPCR	0.0082	0.0426	0.0426
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0426	0.1018
Schistosoma mansoni	opsin-like receptor	0.0082	0.0426	0.1177
Schistosoma mansoni	opsin-like receptor	0.0082	0.0426	0.1177
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0319	0.263	0.263
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0426	0.1018
Onchocerca volvulus		0.0057	0.0201	0.0793
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0426	0.1018
Echinococcus granulosus	inhibitor of apoptosis protein	0.0135	0.0921	0.0921
Echinococcus multilocularis	neuropeptide receptor	0.0082	0.0426	0.0426
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0426	0.1018
Schistosoma mansoni	neuropeptide receptor	0.0082	0.0426	0.1177
Echinococcus granulosus	7tm_1 domain containing protein	0.0082	0.0426	0.0426
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0426	0.1018
Loa Loa (eye worm)	calpain	0.0096	0.0562	0.1402
Echinococcus multilocularis	baculoviral IAP repeat containing protein	0.0135	0.0921	0.0921
Brugia malayi	Dopamine receptor	0.0082	0.0426	0.1177
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0082	0.0426	0.0426
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0096	0.0562	0.4387
Brugia malayi	follicle stimulating hormone receptor	0.0082	0.0426	0.1177
Schistosoma mansoni	amine GPCR	0.0082	0.0426	0.1177
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0057	0.0201	1
Giardia lamblia	Cathepsin B precursor	0.0146	0.1024	0.5
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0426	0.1018
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0096	0.0562	0.4387
Loa Loa (eye worm)	hypothetical protein	0.0188	0.1412	0.3791
Schistosoma mansoni	biogenic amine receptor	0.0082	0.0426	0.1177
Echinococcus multilocularis	calpain family protein 1, d	0.0188	0.1412	0.1412
Echinococcus granulosus	cathepsin b	0.0426	0.3619	0.3619
Plasmodium vivax	vivapain-2	0.0057	0.0201	0.358
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0057	0.0201	0.1965
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0082	0.0426	0.1177

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 7.3	Inhibition of human IKKbeta using GST-IkappaBalpha as substrate	ChEMBL.	23501112
IC50 (binding)	= 50 nM	Inhibition of recombinant human I-kappa-B-kinase beta (IKK beta)	ChEMBL.	15225718
IC50 (binding)	= 50 nM	Inhibition of recombinant human I-kappa-B-kinase beta (IKK beta)	ChEMBL.	15225718
IC50 (binding)	= 50 nM	Inhibition of human IKK-beta using TMB as substrate after 30 mins by spectrophotometry	ChEMBL.	21708416
IC50 (functional)	= 400 nM	TNFalpha-induced RANTES production in A549 cells using ELISA assay	ChEMBL.	15225718
IC50 (functional)	= 400 nM	TNFalpha-induced RANTES production in A549 cells using ELISA assay	ChEMBL.	15225718

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	15225718

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: CHEMBL185509

Bibliographic References

3 literature references were 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 322313