TDR Targets

Basic information

Technical information

TDR Targets ID: 841085
Name: 4-(2-methylpropoxy)-N-(pyridin-3-ylmethyl)ben zamide
MW: 284.353 | Formula: C17H20N2O2
H donors: 1 H acceptors: 2 LogP: 2.93 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CC(COc1ccc(cc1)C(=O)NCc1cccnc1)C
InChi: 1S/C17H20N2O2/c1-13(2)12-21-16-7-5-15(6-8-16)17(20)19-11-14-4-3-9-18-10-14/h3-10,13H,11-12H2,1-2H3,(H,19,20)
InChiKey: HPJUDUYMBBJHJR-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

4-isobutoxy-N-(3-pyridylmethyl)benzamide
BIM-0018113.P001
CBMicro_018025
IVK/9062098
Oprea1_235516

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
Echinococcus multilocularis	potassium channel subfamily K 8	0.0116	0.0257	0.0239
Echinococcus granulosus	potassium channel subfamily K 8	0.0116	0.0257	0.0239
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0257	0.0239
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0257	0.0239
Schistosoma mansoni	hypothetical protein	0.0372	0.1007	0.099
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 19. C. elegans unc-58 ortholog	0.0116	0.0257	0.3315
Echinococcus multilocularis	potassium channel subfamily K 8	0.0116	0.0257	0.0239
Onchocerca volvulus		0.0116	0.0257	0.5
Plasmodium vivax	potassium channel, putative	0.0116	0.0257	1
Brugia malayi	glutathione reductase	0.0053	0.0074	0.0763
Trypanosoma brucei	calcium-activated potassium channel, putative	0.0116	0.0257	1
Brugia malayi	hypothetical protein	0.0116	0.0257	0.3315
Schistosoma mansoni	calcium-activated potassium channel	0.0116	0.0257	0.0239
Echinococcus granulosus	Two pore potassium channel protein sup 9	0.0116	0.0257	0.0239
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0079	0.006
Plasmodium falciparum	glutathione reductase	0.0053	0.0074	0.23
Brugia malayi	Thioredoxin reductase	0.0053	0.0074	0.0763
Mycobacterium tuberculosis	Possible transmembrane cation transporter	0.0116	0.0257	0.7609
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0257	0.0239
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 39B	0.0116	0.0257	0.3315
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 17	0.0116	0.0257	0.3315
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0079	0.006
Echinococcus granulosus	potassium channel subfamily K 8	0.0116	0.0257	0.0239
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 30.	0.0116	0.0257	0.3315
Trypanosoma cruzi	hypothetical protein, conserved	0.0116	0.0257	1
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0257	0.0239
Schistosoma mansoni	calcium-activated potassium channel	0.2194	0.6351	0.6344
Giardia lamblia	Hypothetical protein	0.0116	0.0257	0.5
Plasmodium falciparum	thioredoxin reductase	0.0053	0.0074	0.23
Echinococcus granulosus	thioredoxin glutathione reductase	0.0053	0.0074	0.0055
Brugia malayi	Twik (KCNK-like) family of potasium channels, alpha subunit 40	0.0116	0.0257	0.3315
Echinococcus multilocularis	snurportin 1	0.0372	0.1007	0.099
Echinococcus granulosus	twik family of potassium channels	0.0116	0.0257	0.0239
Onchocerca volvulus		0.0116	0.0257	0.5
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0257	0.0239
Echinococcus multilocularis	small conductance calcium activated potassium	0.3438	1	1
Loa Loa (eye worm)	TWK-7 protein	0.0116	0.0257	0.0239
Entamoeba histolytica	calcium-gated potassium channel protein, putative	0.0116	0.0257	1
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 7	0.0116	0.0257	0.3315
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0257	0.0239
Plasmodium vivax	potassium channel, putative	0.0116	0.0257	1
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.028	0.0737	0.0719
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0257	0.0239
Echinococcus multilocularis	twik family of potassium channels	0.0116	0.0257	0.0239
Plasmodium falciparum	potassium channel	0.0116	0.0257	1
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0136	0.0315	1
Leishmania major	calcium/potassium channel (CAKC), putative	0.0116	0.0257	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0079	0.006
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 28	0.0116	0.0257	0.3315
Trypanosoma brucei	trypanothione reductase	0.0053	0.0074	0.23
Echinococcus multilocularis	Two pore potassium channel protein sup 9	0.0116	0.0257	0.0239
Loa Loa (eye worm)	thioredoxin reductase	0.0053	0.0074	0.0055
Plasmodium vivax	thioredoxin reductase, putative	0.0053	0.0074	0.23
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0257	0.0239
Echinococcus granulosus	TWiK family of potassium channels protein 7	0.0116	0.0257	0.0239
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 13	0.0116	0.0257	0.3315
Leishmania major	hypothetical protein, conserved	0.0116	0.0257	1
Trypanosoma cruzi	calcium/potassium channel (CAKC), putative	0.0116	0.0257	1
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0257	0.0239
Schistosoma mansoni	calcium-activated potassium channel	0.3438	1	1
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0257	0.0239
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0122	0.0275	0.8342
Schistosoma mansoni	twik family of potassium channels-related	0.0116	0.0257	0.0239
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0257	0.0239
Leishmania major	potassium channel subunit-like protein	0.0116	0.0257	1
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0257	0.0239
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0257	0.0239
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0257	0.0239
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 38. C. elegans sup-9 ortholog	0.0116	0.0257	0.3315
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0257	0.0239
Mycobacterium ulcerans	transmembrane cation transporter	0.0116	0.0257	0.5
Loa Loa (eye worm)	potassium voltage-gated channel subfamily Q member 5	0.0116	0.0257	0.0239
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0116	0.0257	1
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0372	0.1007	0.099
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0257	0.0239
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 45	0.0116	0.0257	0.3315
Brugia malayi	follicle stimulating hormone receptor	0.028	0.0737	1
Trypanosoma cruzi	trypanothione reductase, putative	0.0053	0.0074	0.2878
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0257	0.0239
Toxoplasma gondii	ion channel protein	0.0116	0.0257	1
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0257	0.0239
Trypanosoma cruzi	calcium/potassium channel (CAKC), putative	0.0116	0.0257	1
Onchocerca volvulus		0.0116	0.0257	0.5
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 35	0.0116	0.0257	0.3315
Loa Loa (eye worm)	hypothetical protein	0.1128	0.3226	0.3213
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0257	0.0239
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0257	0.0239
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0257	0.0239
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0257	0.0239
Plasmodium vivax	glutathione reductase, putative	0.0053	0.0074	0.23
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 39A	0.0116	0.0257	0.3315
Loa Loa (eye worm)	TWK-28 protein	0.0116	0.0257	0.0239
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0257	0.0239
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 21	0.0116	0.0257	0.3315
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0136	0.0315	1
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0917	0.2607	0.2593
Echinococcus multilocularis	TWiK family of potassium channels protein 7	0.0116	0.0257	0.0239
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0257	0.0239
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0079	0.006
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 12	0.0116	0.0257	0.3315
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0257	0.0239
Schistosoma mansoni	twik family of potassium channels-related	0.0116	0.0257	0.0239
Onchocerca volvulus		0.0116	0.0257	0.5
Mycobacterium tuberculosis	Probable reductase	0.0122	0.0275	0.8342
Echinococcus granulosus	potassium channel subfamily K	0.0116	0.0257	0.0239
Trypanosoma cruzi	calcium-activated potassium channel, putative	0.0116	0.0257	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0116	0.0257	1
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0053	0.0074	0.0055
Onchocerca volvulus		0.0116	0.0257	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0116	0.0257	1
Schistosoma mansoni	twik family of potassium channels-related	0.0116	0.0257	0.0239
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0116	0.0257	1
Leishmania major	ion transport protein-like protein	0.0116	0.0257	1
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0136	0.0315	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0079	0.006
Toxoplasma gondii	thioredoxin reductase	0.0053	0.0074	0.23
Loa Loa (eye worm)	large conductance calcium-activated potassium channel alpha subunit ai	0.0116	0.0257	0.0239
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 32	0.0116	0.0257	0.3315
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0079	0.006
Onchocerca volvulus		0.0116	0.0257	0.5
Brugia malayi	RNA, U transporter 1	0.0099	0.0208	0.2622
Echinococcus multilocularis	calcium activated potassium channel variant	0.0116	0.0257	0.0239
Loa Loa (eye worm)	glutathione reductase	0.0053	0.0074	0.0055
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0122	0.0275	0.8342
Echinococcus granulosus	twik family of potassium channels	0.0116	0.0257	0.0239
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0257	0.0239
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0257	0.0239
Echinococcus granulosus	calcium activated potassium channel variant	0.0116	0.0257	0.0239
Onchocerca volvulus		0.0116	0.0257	0.5
Mycobacterium ulcerans	ion transport protein	0.0116	0.0257	0.5
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0257	0.0239
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0257	0.0239
Plasmodium falciparum	potassium channel	0.0116	0.0257	1
Trypanosoma cruzi	ion transport protein, putative	0.0116	0.0257	1
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0122	0.0275	0.8342
Onchocerca volvulus		0.0116	0.0257	0.5
Brugia malayi	hypothetical protein	0.0116	0.0257	0.3315
Leishmania major	trypanothione reductase	0.0053	0.0074	0.2878
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0122	0.0275	0.8342
Trypanosoma cruzi	ion transport protein, putative	0.0116	0.0257	1
Echinococcus multilocularis	potassium channel subfamily K	0.0116	0.0257	0.0239
Schistosoma mansoni	twik family of potassium channels-related	0.0116	0.0257	0.0239
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 5	0.0116	0.0257	0.3315
Mycobacterium tuberculosis	Probable oxidoreductase	0.0136	0.0315	1
Schistosoma mansoni	twik family of potassium channels-related	0.0116	0.0257	0.0239
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0257	0.0239
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0257	0.0239
Loa Loa (eye worm)	uncoordinated protein 58	0.0116	0.0257	0.0239
Loa Loa (eye worm)	hypothetical protein	0.1001	0.2853	0.2839
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0116	0.0257	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0079	0.006
Loa Loa (eye worm)	hypothetical protein	0.1193	0.3415	0.3402
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0116	0.0257	1
Schistosoma mansoni	hypothetical protein	0.3438	1	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0079	0.0834
Loa Loa (eye worm)	hypothetical protein	0.3438	1	1
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0257	0.0239
Echinococcus granulosus	snurportin 1	0.0372	0.1007	0.099
Trypanosoma cruzi	calcium-activated potassium channel, putative	0.0116	0.0257	1
Schistosoma mansoni	twik family of potassium channels-related	0.0116	0.0257	0.0239
Schistosoma mansoni	twik family of potassium channels-related	0.0116	0.0257	0.0239
Schistosoma mansoni	twik family of potassium channels-related	0.0116	0.0257	0.0239
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0257	0.0239
Schistosoma mansoni	hypothetical protein	0.0116	0.0257	0.0239
Leishmania major	hypothetical protein, conserved	0.0116	0.0257	1
Echinococcus multilocularis	twik family of potassium channels	0.0116	0.0257	0.0239
Toxoplasma gondii	ion channel protein	0.0116	0.0257	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0079	0.006
Trypanosoma brucei	calcium/potassium channel (CAKC), putative	0.0116	0.0257	1
Loa Loa (eye worm)	S-phase kinase-associated protein 1A	0.0116	0.0257	0.0239
Mycobacterium tuberculosis	Probable dehydrogenase	0.0122	0.0275	0.8342
Schistosoma mansoni	calcium-activated potassium channel	0.0116	0.0257	0.0239
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 24	0.0116	0.0257	0.3315

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

Search by Saint Jude

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 841085