TDR Targets

Basic information

Technical information

TDR Targets ID: 862496
Name: N-cyclopentyl-4-[[2-(phenylmethylsulfanyl)imi dazo[5,4-c]pyridin-3-yl]methyl]benzamide
MW: 442.576 | Formula: C26H26N4OS
H donors: 1 H acceptors: 3 LogP: 4.85 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1ccc(cc1)Cn1c(SCc2ccccc2)nc2c1cncc2)NC1CCCC1
InChi: 1S/C26H26N4OS/c31-25(28-22-8-4-5-9-22)21-12-10-19(11-13-21)17-30-24-16-27-15-14-23(24)29-26(30)32-18-20-6-2-1-3-7-20/h1-3,6-7,10-16,22H,4-5,8-9,17-18H2,(H,28,31)
InChiKey: HHPWZXYOBJZQOJ-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-cyclopentyl-4-[[2-(phenylmethylthio)-3-imidazo[5,4-c]pyridinyl]methyl]benzamide
4-[[2-(benzylthio)imidazo[5,4-c]pyridin-3-yl]methyl]-N-cyclopentyl-benzamide

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
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0184	0.1179	0.2293
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0122	0.0726	0.0738
Brugia malayi	Peroxidasin	0.0064	0.0295	0.0442
Brugia malayi	Carboxylesterase family protein	0.0122	0.0726	0.1088
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.027	0.0404
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0031	0.0057	1
Loa Loa (eye worm)	hypothetical protein	0.0184	0.1179	0.2293
Schistosoma mansoni	sodium/chloride dependent transporter	0.0184	0.1179	0.2293
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0122	0.0726	0.0738
Brugia malayi	hypothetical protein	0.0043	0.0147	0.022
Schistosoma mansoni	hypothetical protein	0.0182	0.1164	0.2265
Onchocerca volvulus		0.0064	0.0295	0.2501
Loa Loa (eye worm)	hypothetical protein	0.0724	0.5139	1
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0031	0.0057	0.0112
Loa Loa (eye worm)	hypothetical protein	0.0184	0.1179	0.2293
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0031	0.0057	0.0112
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0038	0.0105	0.0203
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0293	0.1977	1
Onchocerca volvulus	Peroxidase homolog	0.0064	0.0295	0.2501
Brugia malayi	Animal haem peroxidase family protein	0.0064	0.0295	0.0442
Echinococcus multilocularis	survival motor neuron protein 1	0.0286	0.1922	0.1955
Echinococcus multilocularis	para nitrobenzyl esterase	0.0122	0.0726	0.0738
Toxoplasma gondii	hypothetical protein	0.0031	0.0057	1
Brugia malayi	Carboxylesterase family protein	0.0122	0.0726	0.1088
Brugia malayi	hypothetical protein	0.0031	0.0057	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0295	0.0574
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.013	0.0195
Loa Loa (eye worm)	hypothetical protein	0.006	0.027	0.0524
Plasmodium vivax	hypothetical protein, conserved	0.0031	0.0057	1
Brugia malayi	hypothetical protein	0.0182	0.1166	0.1749
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.0885	0.1722
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0057	0.0112
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0295	0.0574
Onchocerca volvulus		0.0064	0.0295	0.2501
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.0885	0.1722
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0295	0.0574
Loa Loa (eye worm)	hypothetical protein	0.0041	0.013	0.0253
Loa Loa (eye worm)	animal heme peroxidase	0.0064	0.0295	0.0574
Schistosoma mansoni	hypothetical protein	0.0043	0.0147	0.0286
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0295	0.0574
Plasmodium falciparum	transporter, putative	0.0031	0.0057	1
Loa Loa (eye worm)	acetylcholinesterase 1	0.0724	0.5139	1
Schistosoma mansoni	hypothetical protein	0.0041	0.013	0.0253
Brugia malayi	Carboxylesterase family protein	0.0724	0.5139	0.7709
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0038	0.0105	0.0106
Onchocerca volvulus	Dual oxidase homolog	0.0064	0.0295	0.2501
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0726	0.1412
Brugia malayi	Kinesin motor domain containing protein	0.0027	0.0028	0.0042
Schistosoma mansoni	voltage-gated potassium channel	0.0041	0.013	0.0253
Echinococcus granulosus	kinesin family 1	0.0209	0.1363	0.1363
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0057	0.0112
Brugia malayi	Animal haem peroxidase family protein	0.0064	0.0295	0.0442
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0122	0.0726	1
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0726	0.1412
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0031	0.0057	0.0112
Loa Loa (eye worm)	animal heme peroxidase	0.0064	0.0295	0.0574
Entamoeba histolytica	hypothetical protein	0.0043	0.0147	1
Loa Loa (eye worm)	hypothetical protein	0.0182	0.1166	0.2269
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.027	0.0404
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0122	0.0726	0.1412
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0295	0.0574
Brugia malayi	Animal haem peroxidase family protein	0.0064	0.0295	0.0442
Onchocerca volvulus		0.0184	0.1179	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.027	0.0524
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0031	0.0057	0.0058
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0122	0.0726	0.1412
Onchocerca volvulus		0.0064	0.0295	0.2501
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0295	0.0574
Echinococcus granulosus	neuroligin	0.0122	0.0726	0.0726
Echinococcus multilocularis	neuroligin	0.0122	0.0726	0.0738
Giardia lamblia	Kinesin-5	0.0027	0.0028	0.5
Schistosoma mansoni	sodium-dependent amino acid transporter	0.0031	0.0057	0.0112
Onchocerca volvulus		0.0122	0.0726	0.6156
Loa Loa (eye worm)	norepinephrine transporter	0.0184	0.1179	0.2293
Echinococcus granulosus	sodium and chloride dependent glycine	0.0031	0.0057	0.0057
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.0031	0.0057	0.0058
Echinococcus granulosus	acetylcholinesterase	0.0724	0.5139	0.5139
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0295	0.0574
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.0147	0.0286
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0031	0.0057	0.0112
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0726	0.1412
Brugia malayi	hypothetical protein	0.0122	0.0726	0.1088
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0068	0.0132
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0122	0.0726	0.1412
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0031	0.0057	0.0112
Loa Loa (eye worm)	hypothetical protein	0.0184	0.1179	0.2293
Echinococcus multilocularis	kinesin family 1	0.0209	0.1363	0.1387
Schistosoma mansoni	hypothetical protein	0.0058	0.0255	0.0497
Schistosoma mansoni	acetylcholinesterase	0.0122	0.0726	0.1412
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0031	0.0057	0.0086
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0184	0.1179	0.1768
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0122	0.0726	0.1412
Brugia malayi	Carboxylesterase family protein	0.0122	0.0726	0.1088
Plasmodium vivax	amine transporter, putative	0.0031	0.0057	1
Loa Loa (eye worm)	carboxylesterase	0.0724	0.5139	1
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.0031	0.0057	0.0058
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0031	0.0057	0.0057
Onchocerca volvulus		0.0031	0.0057	0.0488
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.0031	0.0057	0.5
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0031	0.0057	0.0112
Echinococcus multilocularis	carboxylesterase 5A	0.0724	0.5139	0.5229
Loa Loa (eye worm)	hypothetical protein	0.0286	0.1922	0.3739
Entamoeba histolytica	hypothetical protein	0.0043	0.0147	1
Schistosoma mansoni	voltage-gated potassium channel	0.0041	0.013	0.0253
Brugia malayi	Animal haem peroxidase family protein	0.0064	0.0295	0.0442
Brugia malayi	Blistered cuticle protein 3	0.0064	0.0295	0.0442
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0057	0.0112
Schistosoma mansoni	sodium/chloride dependent transporter	0.0031	0.0057	0.0112
Brugia malayi	Serotonin receptor	0.0933	0.6667	1
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0726	0.1412
Echinococcus granulosus	sodium and chloride dependent glycine	0.0031	0.0057	0.0057
Onchocerca volvulus	Peroxidase homolog	0.0064	0.0295	0.2501
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0295	0.0574
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0295	0.0574
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0038	0.0105	0.0157
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.0272	0.1825	1
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0031	0.0057	1
Brugia malayi	MH2 domain containing protein	0.0144	0.0885	0.1328
Onchocerca volvulus		0.0031	0.0057	0.0488
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0057	0.0112
Loa Loa (eye worm)	animal heme peroxidase	0.0064	0.0295	0.0574
Echinococcus granulosus	carboxylesterase 5A	0.0724	0.5139	0.5139
Loa Loa (eye worm)	serotonin transporter b	0.0184	0.1179	0.2293
Echinococcus granulosus	serotonin transporter	0.0184	0.1179	0.1179
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0031	0.0057	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0726	0.1412
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.0031	0.0057	0.0086
Schistosoma mansoni	survival motor neuron protein	0.0058	0.0255	0.0497
Schistosoma mansoni	sodium/chloride dependent transporter	0.0031	0.0057	0.0112
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0726	0.1412
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0038	0.0105	0.0105
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0295	0.0574
Brugia malayi	hypothetical protein	0.0286	0.1922	0.2882
Onchocerca volvulus		0.0182	0.1166	0.9892
Brugia malayi	hypothetical protein	0.0064	0.0295	0.0442
Brugia malayi	Carboxylesterase family protein	0.0724	0.5139	0.7709
Echinococcus multilocularis	acetylcholinesterase	0.0724	0.5139	0.5229
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.0031	0.0057	0.0057
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.0147	0.0147
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0031	0.0057	0.0112
Trichomonas vaginalis	spcc417.12 protein, putative	0.0122	0.0726	1
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0295	0.0574
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0058	0.0255	0.0383
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.0147	0.0149
Echinococcus multilocularis	peroxidasin	0.0064	0.0295	0.03
Echinococcus granulosus	acetylcholinesterase	0.0724	0.5139	0.5139
Loa Loa (eye worm)	carboxylesterase	0.0122	0.0726	0.1412
Onchocerca volvulus	Peroxidasin homolog	0.0064	0.0295	0.2501
Loa Loa (eye worm)	kinesin-like protein KLP2	0.0027	0.0028	0.0054
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0295	0.0574
Onchocerca volvulus	Peroxidasin homolog	0.0064	0.0295	0.2501
Echinococcus multilocularis	conserved hypothetical protein	0.1364	0.9828	1
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0031	0.0057	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0057	0.0112
Treponema pallidum	sodium- and chloride- dependent transporter	0.0184	0.1179	0.5
Onchocerca volvulus		0.0031	0.0057	0.0488
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0295	0.0574
Schistosoma mansoni	kinesin eg-5	0.0027	0.0028	0.0054
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0057	0.0112
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.0031	0.0057	0.0058
Entamoeba histolytica	hypothetical protein	0.0043	0.0147	1
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0031	0.0057	1
Schistosoma mansoni	gliotactin	0.0122	0.0726	0.1412
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0184	0.1179	0.2293
Loa Loa (eye worm)	carboxylesterase	0.0122	0.0726	0.1412
Loa Loa (eye worm)	hypothetical protein	0.0724	0.5139	1
Echinococcus granulosus	para nitrobenzyl esterase	0.0122	0.0726	0.0726
Loa Loa (eye worm)	blistered cuticle protein 3	0.0064	0.0295	0.0574
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0295	0.0574
Echinococcus granulosus	BC026374 protein S09 family	0.0122	0.0726	0.0726
Schistosoma mansoni	peroxidasin	0.0064	0.0295	0.0574
Echinococcus multilocularis	acetylcholinesterase	0.0724	0.5139	0.5229
Toxoplasma gondii	hypothetical protein	0.0031	0.0057	1
Onchocerca volvulus	Chorion peroxidase homolog	0.0064	0.0295	0.2501
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0031	0.0057	0.0086
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0724	0.5139	1
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0293	0.1977	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0057	0.0112
Brugia malayi	Carboxylesterase family protein	0.0122	0.0726	0.1088
Brugia malayi	Animal haem peroxidase family protein	0.0064	0.0295	0.0442
Schistosoma mansoni	BC026374 protein (S09 family)	0.0122	0.0726	0.1412
Echinococcus granulosus	peroxidasin	0.0064	0.0295	0.0295
Echinococcus multilocularis	serotonin transporter	0.0184	0.1179	0.1199
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0031	0.0057	0.0057
Onchocerca volvulus		0.0058	0.0255	0.2165
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0031	0.0057	0.0112
Onchocerca volvulus		0.0122	0.0726	0.6156
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0122	0.0726	0.0726
Loa Loa (eye worm)	animal heme peroxidase	0.0064	0.0295	0.0574
Onchocerca volvulus		0.0122	0.0726	0.6156
Onchocerca volvulus		0.0122	0.0726	0.6156
Schistosoma mansoni	peroxidasin	0.0064	0.0295	0.0574
Plasmodium falciparum	amino acid transporter, putative	0.0031	0.0057	1
Entamoeba histolytica	hypothetical protein	0.0043	0.0147	1
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0726	0.1412
Onchocerca volvulus		0.0122	0.0726	0.6156
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0031	0.0057	0.0112
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.0031	0.0057	0.0057
Echinococcus granulosus	survival motor neuron protein 1	0.0286	0.1922	0.1922
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0031	0.0057	0.0112

Activities

No activities found for this compound.

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 862496