TDR Targets

Basic information

Technical information

TDR Targets ID: 500632
Name: 2-[4-[(1-benzylpiperidin-3-yl)methoxy]phenyl] -3H-benzimidazole-5-carboxamide
MW: 440.537 | Formula: C27H28N4O2
H donors: 2 H acceptors: 2 LogP: 4.27 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: NC(=O)c1ccc2c(c1)nc([nH]2)c1ccc(cc1)OCC1CCCN(C1)Cc1ccccc1
InChi: 1S/C27H28N4O2/c28-26(32)22-10-13-24-25(15-22)30-27(29-24)21-8-11-23(12-9-21)33-18-20-7-4-14-31(17-20)16-19-5-2-1-3-6-19/h1-3,5-6,8-13,15,20H,4,7,14,16-18H2,(H2,28,32)(H,29,30)
InChiKey: NVMKARZSQDEILW-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

2-[4-[(1-benzyl-3-piperidyl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide
2-[4-[(1-benzyl-3-piperidinyl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide
2-[4-[[1-(phenylmethyl)piperidin-3-yl]methoxy]phenyl]-3H-benzimidazole-5-carboxamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	checkpoint kinase 2	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase I	Get druggable targets OG5_128695	All targets in OG5_128695
Entamoeba histolytica	protein kinase, putative	Get druggable targets OG5_128695	All targets in OG5_128695
Entamoeba histolytica	protein kinase, putative	Get druggable targets OG5_128695	All targets in OG5_128695
Candida albicans	protein kinase	Get druggable targets OG5_128695	All targets in OG5_128695
Candida albicans	protein kinase	Get druggable targets OG5_128695	All targets in OG5_128695
Echinococcus granulosus	calcium:calmodulin dependent protein kinase I	Get druggable targets OG5_128695	All targets in OG5_128695
Candida albicans	kinase involved in DNA repair	Get druggable targets OG5_128695	All targets in OG5_128695
Candida albicans	kinase involved in DNA repair	Get druggable targets OG5_128695	All targets in OG5_128695
Schistosoma japonicum	ko:K06641 serine/threonine-protein kinase Chk2, putative	Get druggable targets OG5_128695	All targets in OG5_128695
Echinococcus granulosus	serine:threonine protein kinase Chk2	Get druggable targets OG5_128695	All targets in OG5_128695
Echinococcus multilocularis	serine:threonine protein kinase Chk2	Get druggable targets OG5_128695	All targets in OG5_128695
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_128695	All targets in OG5_128695

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
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.0016	0.0067	0.5
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0402	0.0456
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0031	0.0939	0.1064
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0031	0.0939	0.1064
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.0016	0.0067	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.0016	0.0067	0.5
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0101	0.0114
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.0016	0.0067	0.5
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0022	0.0402	0.0402
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.0016	0.0067	0.5
Echinococcus granulosus	calcium:calmodulin dependent protein kinase I	0.0046	0.1761	0.1761
Echinococcus multilocularis	lamin	0.003	0.0886	0.0886
Schistosoma mansoni	thyroid hormone receptor	0.0031	0.0939	0.0939
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0016	0.0085	0.0097
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0402	0.0456
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0031	0.0939	0.0939
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.0016	0.0067	0.5
Schistosoma mansoni	nAChR subunit	0.0022	0.0402	0.0402
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0031	0.0939	0.0939
Echinococcus multilocularis	geminin	0.0191	1	1
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0022	0.0402	0.0402
Brugia malayi	MH2 domain containing protein	0.0135	0.6798	0.7701
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.003	0.0886	0.1004
Trypanosoma cruzi	PAB1-binding protein , putative	0.0028	0.0774	1
Onchocerca volvulus		0.0022	0.0402	0.0456
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.0095	0.4533	0.4533
Brugia malayi	Nuclear hormone receptor-like 1	0.0017	0.0101	0.0114
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0022	0.0402	0.0456
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0031	0.0939	0.1064
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0402	0.0456
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0022	0.0402	0.0456
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0031	0.0939	0.1064
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0031	0.0939	0.1064
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0022	0.0402	0.0456
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0022	0.0402	0.0402
Echinococcus multilocularis	glycine receptor subunit beta	0.0022	0.0402	0.0402
Schistosoma mansoni	coup transcription factor	0.0031	0.0939	0.0939
Loa Loa (eye worm)	cytochrome P450 family protein	0.0037	0.1287	0.1458
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0939	0.1064
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0402	0.0456
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0939	0.1064
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0022	0.0402	0.0402
Echinococcus multilocularis	jun protein	0.0095	0.4533	0.4533
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0022	0.0402	0.0402
Onchocerca volvulus		0.0031	0.0939	0.1064
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0022	0.0402	0.0402
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0402	0.0456
Brugia malayi	Latrophilin receptor protein 2	0.0018	0.017	0.0193
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0031	0.0939	0.1064
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0402	0.0456
Onchocerca volvulus		0.003	0.0886	0.1004
Schistosoma mansoni	lamin	0.003	0.0886	0.0886
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0031	0.0939	0.1064
Schistosoma mansoni	hypothetical protein	0.0191	1	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0402	0.0456
Brugia malayi	Intermediate filament tail domain containing protein	0.003	0.0886	0.1004
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0018	0.017	0.017
Echinococcus multilocularis	lamin dm0	0.003	0.0886	0.0886
Schistosoma mansoni	nAChR subunit	0.0022	0.0402	0.0402
Echinococcus granulosus	lamin	0.003	0.0886	0.0886
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0402	0.0456
Loa Loa (eye worm)	CYP4Cod1	0.0026	0.0627	0.0711
Mycobacterium leprae	Conserved hypothetical protein	0.0016	0.0067	0.5
Schistosoma mansoni	intermediate filament proteins	0.003	0.0886	0.0886
Brugia malayi	excitatory GABA receptor EXP-1A	0.0022	0.0402	0.0456
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0031	0.0939	0.1064
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0101	0.0114
Brugia malayi	photoreceptor-specific nuclear receptor	0.0031	0.0939	0.1064
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0031	0.0939	0.1064
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0022	0.0402	0.0402
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0774	0.0877
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0056	0.235	0.2662
Brugia malayi	hypothetical protein	0.0017	0.0101	0.0114
Loa Loa (eye worm)	MH2 domain-containing protein	0.0135	0.6798	0.7701
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0022	0.0402	0.0456
Onchocerca volvulus		0.0022	0.0402	0.0456
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0031	0.0939	0.0939
Brugia malayi	Cation transporter family protein	0.0022	0.0402	0.0456
Mycobacterium leprae	putative cytochrome p450	0.0016	0.0067	0.5
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0022	0.0402	0.0456
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0402	0.0456
Brugia malayi	Cation transporter family protein	0.0022	0.0402	0.0456
Brugia malayi	bZIP transcription factor family protein	0.0095	0.4533	0.5135
Echinococcus multilocularis	serine:threonine protein kinase Chk2	0.0046	0.1762	0.1762
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0031	0.0939	0.0939
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0031	0.0939	0.1064
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0402	0.0456
Schistosoma mansoni	lamin	0.003	0.0886	0.0886
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0402	0.0456
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.0016	0.0067	0.5
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0402	0.0456
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0017	0.0101	0.0101
Loa Loa (eye worm)	cytochrome P450 family protein	0.0026	0.0627	0.0711
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0022	0.0402	0.0402
Echinococcus granulosus	cytochrome P450 2K1	0.0016	0.0067	0.0067
Echinococcus multilocularis	GPCR, family 2	0.0018	0.017	0.017
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0022	0.0402	0.0456
Onchocerca volvulus		0.0022	0.0402	0.0456
Loa Loa (eye worm)	hypothetical protein	0.0056	0.235	0.2662
Onchocerca volvulus		0.0074	0.3379	0.3829
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0022	0.0402	0.0402
Schistosoma mansoni	nAChR subunit	0.0022	0.0402	0.0402
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0402	0.0456
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0022	0.0402	0.0456
Onchocerca volvulus	Bile acid receptor homolog	0.0031	0.0939	0.1064
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0031	0.0939	0.0939
Schistosoma mansoni	hypothetical protein	0.0191	1	1
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.0016	0.0067	0.5
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0022	0.0402	0.0402
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0022	0.0402	0.0456
Onchocerca volvulus	Putative nachr subunit	0.0022	0.0402	0.0456
Brugia malayi	nuclear hormone receptor	0.0031	0.0939	0.1064
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.0095	0.4533	0.4533
Trypanosoma brucei	PAB1-binding protein , putative	0.0028	0.0774	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0038	0.1341	0.1519
Echinococcus multilocularis	nAChR subunit	0.0022	0.0402	0.0402
Brugia malayi	Cytochrome P450 family protein	0.0037	0.1287	0.1458
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0022	0.0402	0.0402
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.0016	0.0067	0.5
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0022	0.0402	0.0402
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0022	0.0402	0.0456
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0939	0.1064
Echinococcus multilocularis	musashi	0.003	0.0886	0.0886
Schistosoma mansoni	hypothetical protein	0.0018	0.017	0.017
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0022	0.0402	0.0402
Brugia malayi	Steroid receptor seven-up type 2	0.0031	0.0939	0.1064
Loa Loa (eye worm)	LGC-31 protein	0.0022	0.0402	0.0456
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.0016	0.0067	0.5
Brugia malayi	Cytochrome P450 family protein	0.0016	0.0067	0.0076
Brugia malayi	Cytochrome P450 family protein	0.0026	0.0627	0.0711
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0022	0.0402	0.0402
Echinococcus granulosus	glycine receptor subunit beta	0.0022	0.0402	0.0402
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0101	0.0114
Echinococcus granulosus	intermediate filament protein	0.003	0.0886	0.0886
Echinococcus granulosus	ecdysone induced protein 78C	0.0031	0.0939	0.0939
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0031	0.0939	0.1064
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0939	0.1064
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0031	0.0939	0.1064
Onchocerca volvulus		0.0022	0.0402	0.0456
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0017	0.0101	0.0101
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0018	0.017	0.017
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0022	0.0402	0.0456
Loa Loa (eye worm)	hypothetical protein	0.0092	0.4386	0.4969
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0022	0.0402	0.0402
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0939	0.1064
Schistosoma mansoni	RAR-like nuclear receptor	0.0031	0.0939	0.0939
Echinococcus multilocularis	glycine receptor subunit beta	0.0022	0.0402	0.0402
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0402	0.0456
Trypanosoma cruzi	cytochrome P450, putative	0.0026	0.0627	0.7928
Schistosoma mansoni	hypothetical protein	0.0018	0.017	0.017
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0022	0.0402	0.0402
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0031	0.0939	0.0939
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0022	0.0402	0.0456
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0402	0.0456
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0031	0.0939	0.0939
Schistosoma mansoni	thyroid hormone receptor	0.0031	0.0939	0.0939
Schistosoma mansoni	retinoic acid receptor RXR	0.0031	0.0939	0.0939
Loa Loa (eye worm)	hypothetical protein	0.017	0.8827	1
Schistosoma mansoni	jun-related protein	0.0077	0.3527	0.3527
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0402	0.0456
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0031	0.0939	0.0939
Onchocerca volvulus		0.0022	0.0402	0.0456
Onchocerca volvulus		0.003	0.0886	0.1004
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase I	0.0046	0.1761	0.1761
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0101	0.0114
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0018	0.017	0.0193
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.0016	0.0067	0.5
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0101	0.0114
Plasmodium falciparum	ataxin-2 like protein, putative	0.0028	0.0774	0.5
Schistosoma mansoni	hypothetical protein	0.0077	0.3527	0.3527
Onchocerca volvulus		0.017	0.8827	1
Echinococcus multilocularis		0.0016	0.0067	0.0067
Brugia malayi	Cation transporter family protein	0.0022	0.0402	0.0456
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0022	0.0402	0.0402
Echinococcus granulosus	FTZ F1 alpha	0.0031	0.0939	0.0939
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0031	0.0939	0.0939
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0018	0.017	0.0193
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0022	0.0402	0.0402
Schistosoma mansoni	nAChR subunit	0.0022	0.0402	0.0402
Entamoeba histolytica	protein kinase, putative	0.0046	0.1762	0.5
Schistosoma mansoni	nuclear hormone receptor	0.0031	0.0939	0.0939
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0031	0.0939	0.1064
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.0016	0.0067	0.5
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0031	0.0939	0.0939
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0031	0.0939	0.1064
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0022	0.0402	0.0402
Schistosoma mansoni	serine/threonine protein kinase	0.0046	0.1762	0.1762
Schistosoma mansoni	nAChR subunit	0.0022	0.0402	0.0402
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0031	0.0939	0.1064
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0022	0.0402	0.0456
Toxoplasma gondii	LsmAD domain-containing protein	0.0028	0.0774	1
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0022	0.0402	0.0456
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0402	0.0456
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0022	0.0402	0.0402
Echinococcus granulosus	nAChR subunit	0.0022	0.0402	0.0402
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0031	0.0939	0.0939
Onchocerca volvulus	Protein ultraspiracle homolog	0.0031	0.0939	0.1064
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0402	0.0456
Brugia malayi	hypothetical protein	0.0018	0.0202	0.0229
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0031	0.0939	0.0939
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0031	0.0939	0.1064
Brugia malayi	hypothetical protein	0.0028	0.0774	0.0877
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0022	0.0402	0.0456
Brugia malayi	hypothetical protein	0.0074	0.3379	0.3829
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.0016	0.0067	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.0016	0.0067	0.5
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0022	0.0402	0.0456
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0022	0.0402	0.0402
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0022	0.0402	0.0456
Loa Loa (eye worm)	intermediate filament protein	0.003	0.0886	0.1004
Schistosoma mansoni	hypothetical protein	0.0038	0.1341	0.1341
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0017	0.0101	0.0101
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0022	0.0402	0.0402
Loa Loa (eye worm)	cytochrome P450	0.0016	0.0067	0.0076
Brugia malayi	Nuclear hormone receptor-like 1	0.0017	0.0101	0.0114
Brugia malayi	hypothetical protein	0.017	0.8827	1
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0022	0.0402	0.0402
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0022	0.0402	0.0456
Loa Loa (eye worm)	hypothetical protein	0.0018	0.017	0.0193
Brugia malayi	nuclear receptor NHR-88	0.0031	0.0939	0.1064
Onchocerca volvulus		0.0022	0.0402	0.0456
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0031	0.0939	0.0939
Echinococcus granulosus	glycine receptor subunit beta	0.0022	0.0402	0.0402
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.0016	0.0067	0.5
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0022	0.0402	0.0456
Leishmania major	cytochrome p450-like protein	0.0026	0.0627	0.7928
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.0016	0.0067	0.5
Loa Loa (eye worm)	ACC-1 protein	0.0022	0.0402	0.0456
Loa Loa (eye worm)	ACC-1 protein	0.0022	0.0402	0.0456
Schistosoma mansoni	hypothetical protein	0.0018	0.017	0.017
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.0016	0.0067	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.0016	0.0067	0.5
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0402	0.0456
Echinococcus granulosus	GPCR family 2	0.0018	0.017	0.017
Schistosoma mansoni	hypothetical protein	0.0016	0.0067	0.0067
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0022	0.0402	0.0456
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0939	0.1064
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0022	0.0402	0.0456
Echinococcus granulosus	jun protein	0.0095	0.4533	0.4533
Brugia malayi	ecdysteroid receptor	0.0031	0.0939	0.1064
Brugia malayi	hypothetical protein	0.0017	0.0101	0.0114
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0031	0.0939	0.0939
Brugia malayi	Cytochrome P450 family protein	0.0026	0.0627	0.0711
Trypanosoma cruzi	cytochrome P450, putative	0.0026	0.0627	0.7928
Loa Loa (eye worm)	transcription factor SMAD2	0.0135	0.6798	0.7701
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0031	0.0939	0.1064
Schistosoma mansoni	cytochrome P450	0.0016	0.0067	0.0067
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0031	0.0939	0.1064
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0017	0.0101	0.0101
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0031	0.0939	0.0939
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0939	0.1064
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0939	0.1064
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0022	0.0402	0.0456
Loa Loa (eye worm)	hypothetical protein	0.003	0.0855	0.0968
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0022	0.0402	0.0402
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0031	0.0939	0.0939
Echinococcus granulosus	lamin dm0	0.003	0.0886	0.0886
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0031	0.0939	0.0939
Loa Loa (eye worm)	steroid hormone receptor	0.0031	0.0939	0.1064
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0022	0.0402	0.0402
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0022	0.0402	0.0402
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0026	0.0627	1
Brugia malayi	cytochrome P450	0.0016	0.0067	0.0076
Echinococcus granulosus	serine:threonine protein kinase Chk2	0.0046	0.1762	0.1762
Brugia malayi	intermediate filament protein	0.003	0.0886	0.1004
Echinococcus multilocularis	ecdysone induced protein 78C	0.0031	0.0939	0.0939
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0031	0.0939	0.0939
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0031	0.0939	0.0939
Brugia malayi	cytoplasmic intermediate filament protein	0.0016	0.0085	0.0097
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0017	0.0101	0.0114
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0031	0.0939	0.1064
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0022	0.0402	0.0402
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0031	0.0939	0.1064
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0018	0.017	0.017
Trypanosoma brucei	cytochrome P450, putative	0.0026	0.0627	0.7928
Brugia malayi	Nuclear hormone receptor-like 1	0.0031	0.0939	0.1064
Brugia malayi	nuclear receptor RXR	0.0017	0.0101	0.0114
Trypanosoma cruzi	PAB1-binding protein , putative	0.0028	0.0774	1
Echinococcus multilocularis	FTZ F1 alpha	0.0031	0.0939	0.0939
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0031	0.0939	0.0939
Brugia malayi	steroid hormone receptor	0.0031	0.0939	0.1064
Loa Loa (eye worm)	cytochrome P450 family protein	0.0026	0.0627	0.0711
Schistosoma mansoni	nAChR subunit	0.0022	0.0402	0.0402
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1341	0.1519
Loa Loa (eye worm)	hypothetical protein	0.003	0.0886	0.1004
Plasmodium vivax	ataxin-2 like protein, putative	0.0028	0.0774	0.5
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.0016	0.0067	0.5
Schistosoma mansoni	hypothetical protein	0.0018	0.017	0.017
Plasmodium falciparum	ataxin-2 like protein, putative	0.0028	0.0774	0.5
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0056	0.235	0.2662
Schistosoma mansoni	nAChR subunit	0.0022	0.0402	0.0402
Entamoeba histolytica	protein kinase, putative	0.0046	0.1762	0.5
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0031	0.0939	0.0939
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.0016	0.0067	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0031	0.0939	0.1064
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0018	0.017	0.017
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0022	0.0402	0.0456
Leishmania major	hypothetical protein, conserved	0.0028	0.0774	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0056	0.235	0.2662

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 37 nM	Inhibition of human recombinant Chk2	ChEMBL.	17937984
IC50 (binding)	= 37 nM	Inhibition of human recombinant Chk2	ChEMBL.	17937984
IC50 (binding)	= 37 nM	Inhibition of human CDS1 using N-terminal biotin labeled SGLYRSPSMPENLNRPR as substrate in presence of [gamma-33P]-ATP after 3 hrs by scintillation counting method	PATENT.	No reference
Solubility	= 0.267 mM	Solubility in stimulated inestinal fluid at pH 7 after 3 days	ChEMBL.	17937984
Solubility	> 0.4 mM	Solubility in stimulated gastric fluid at pH 2 umol after 3 days	ChEMBL.	17937984

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: CHEMBL250765
PubChem: 11575815

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 500632