TDR Targets

Basic information

Technical information

TDR Targets ID: 511465
Name: 4-propyl-N-pyridin-3-ylbenzamide
MW: 240.3 | Formula: C15H16N2O
H donors: 1 H acceptors: 2 LogP: 3.03 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCCc1ccc(cc1)C(=O)Nc1cccnc1
InChi: 1S/C15H16N2O/c1-2-4-12-6-8-13(9-7-12)15(18)17-14-5-3-10-16-11-14/h3,5-11H,2,4H2,1H3,(H,17,18)
InChiKey: FLPFOYSMOSEVLG-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

4-propyl-N-(3-pyridyl)benzamide
4-propyl-N-pyridin-3-yl-benzamide
Oprea1_060375
ZINC01515561

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	transient receptor potential cation channel, subfamily V, member 1	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
Trypanosoma brucei	aminopeptidase, putative	0.0094	0.0053	0.0042
Trypanosoma cruzi	N-myristoyl transferase, putative	0.0175	0.0565	0.4036
Wolbachia endosymbiont of Brugia malayi	leucyl aminopeptidase	0.039	0.1908	1
Plasmodium falciparum	M1-family alanyl aminopeptidase	0.0437	0.2199	0.5646
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0247	0.1011	0.2125
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.0094	0.0053	0.0382
Echinococcus granulosus	ribonucleoside diphosphate reductase large	0.0309	0.1399	0.2953
Trypanosoma brucei	metallo-peptidase, Clan MA(E) Family M1	0.0247	0.1011	0.7127
Toxoplasma gondii	subtilisin SUB1	0.0702	0.3853	1
Echinococcus multilocularis	Peptidase M1, membrane alanine aminopeptidase, N terminal	0.0247	0.1011	0.2125
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0247	0.1011	0.7115
Loa Loa (eye worm)	hypothetical protein	0.0255	0.1062	0.105
Loa Loa (eye worm)	N-myristoyltransferase 2	0.0175	0.0565	0.0552
Plasmodium falciparum	glycylpeptide N-tetradecanoyltransferase	0.0175	0.0565	0.1345
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0247	0.1011	0.2125
Brugia malayi	TATA binding protein associated factor	0.0094	0.0053	0.0063
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0094	0.0053	0.0085
Leishmania major	aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0247	0.1011	0.7115
Trypanosoma cruzi	Aminopeptidase M1, putative	0.0247	0.1011	0.7225
Trypanosoma cruzi	cytosolic leucyl aminopeptidase, putative	0.0231	0.0914	0.6534
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0257	0.1073	0.1462
Echinococcus granulosus	leucine aminopeptidase protein	0.039	0.1908	0.4037
Echinococcus multilocularis	integrin alpha ps	0.0235	0.0936	0.1966
Plasmodium falciparum	M17 leucyl aminopeptidase	0.0231	0.0914	0.2265
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0247	0.1011	0.2125
Schistosoma mansoni	leukotriene A4 hydrolase (M01 family)	0.0094	0.0053	0.0055
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0247	0.1011	0.2125
Trypanosoma cruzi	Aph-1 protein, putative	0.0093	0.0048	0.0341
Echinococcus multilocularis	integrin alpha ps	0.049	0.2531	0.5365
Trypanosoma cruzi	metallo-peptidase, Clan MA(E) Family M1	0.0094	0.0053	0.0382
Plasmodium vivax	glycylpeptide N-tetradecanoyltransferase, putative	0.0175	0.0565	0.1345
Trypanosoma brucei	N-myristoyltransferase	0.0175	0.0565	0.3825
Chlamydia trachomatis	cytosol aminopeptidase	0.039	0.1908	1
Echinococcus granulosus	aminopeptidase N	0.0716	0.3943	0.8376
Loa Loa (eye worm)	ribonucleoside-diphosphate reductase large subunit	0.0309	0.1399	0.1387
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0247	0.1011	0.2125
Echinococcus granulosus	leukotriene A 4 hydrolase	0.0094	0.0053	0.0085
Trypanosoma cruzi	aminopeptidase, putative	0.0247	0.1011	0.7225
Toxoplasma gondii	aminopeptidase n, putative	0.0437	0.2199	0.3259
Loa Loa (eye worm)	hypothetical protein	0.0235	0.0936	0.0923
Brugia malayi	Integrin alpha cytoplasmic region family protein	0.0827	0.4636	0.7353
Trypanosoma brucei	Aminopeptidase M1, putative	0.0247	0.1011	0.7127
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0053	0.004
Schistosoma mansoni	memapsin-2 (A01 family)	0.0419	0.2088	0.2862
Brugia malayi	gamma-secretase subunit aph-1	0.0238	0.0956	0.15
Schistosoma mansoni	aminopeptidase A (M01 family)	0.0094	0.0053	0.0055
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0153	0.0425	0.0877
Trichomonas vaginalis	N-myristoyl transferase, putative	0.0175	0.0565	0.4446
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0094	0.0053	0.0085
Brugia malayi	ribonucleoside-diphosphate reductase large chain, putative	0.0309	0.1399	0.2204
Loa Loa (eye worm)	gamma-secretase subunit aph-1	0.0238	0.0956	0.0944
Loa Loa (eye worm)	hypothetical protein	0.0153	0.0425	0.0412
Brugia malayi	N-myristoyltransferase 2	0.0175	0.0565	0.0876
Echinococcus granulosus	gamma secretase subunit aph 1	0.0238	0.0956	0.2009
Trypanosoma brucei	N-myristoyl transferase, putative	0.0175	0.0565	0.3825
Trypanosoma brucei	metallo-peptidase, Clan MF, Family M17	0.0231	0.0914	0.6412
Toxoplasma gondii	leucyl aminopeptidase LAP	0.039	0.1908	0.2072
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0053	0.004
Toxoplasma gondii	aminopeptidase N protein	0.0437	0.2199	0.3259
Trypanosoma brucei	Aminopeptidase M1, putative	0.0247	0.1011	0.7127
Brugia malayi	Peptidase family M1 containing protein	0.0716	0.3943	0.6251
Brugia malayi	Integrin alpha pat-2 precursor	0.1093	0.63	1
Mycobacterium ulcerans	leucyl aminopeptidase	0.039	0.1908	1
Trypanosoma cruzi	metallo-peptidase, Clan MF, Family M17, putative	0.0231	0.0914	0.6534
Entamoeba histolytica	aminopeptidase, putative	0.0247	0.1011	1
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0053	0.004
Mycobacterium tuberculosis	Ribonucleoside-diphosphate reductase (alpha chain) NrdE (ribonucleotide reductase small subunit) (R1F protein)	0.0278	0.1203	0.6121
Mycobacterium leprae	Probable cytosol aminopeptidase PepB	0.039	0.1908	1
Plasmodium falciparum	subtilisin-like protease 1	0.0702	0.3853	1
Echinococcus multilocularis	glycylpeptide N tetradecanoyltransferase	0.0175	0.0565	0.1174
Loa Loa (eye worm)	leukotriene A4 hydrolase	0.0094	0.0053	0.004
Trypanosoma cruzi	ribonucleoside-diphosphate reductase large chain, putative	0.0309	0.1399	1
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0247	0.1011	0.7225
Loa Loa (eye worm)	aminopeptidase N	0.0247	0.1011	0.0998
Schistosoma mansoni	intracisternal A-particle retropepsin (A02 family)	0.1247	0.7261	1
Trichomonas vaginalis	N-myristoyl transferase, putative	0.0115	0.0188	0.1174
Trichomonas vaginalis	ribonucleoside-diphosphate reductase alpha chain, putative	0.0278	0.1203	1
Schistosoma mansoni	family A2 unassigned peptidase (A02 family)	0.0227	0.0885	0.1202
Echinococcus granulosus	integrin alpha 3	0.0838	0.4705	1
Echinococcus multilocularis	leucine aminopeptidase protein	0.039	0.1908	0.4037
Trypanosoma cruzi	Aph-1 protein, putative	0.0093	0.0048	0.0341
Echinococcus granulosus	integrin alpha ps	0.049	0.2531	0.5365
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0247	0.1011	0.8327
Loa Loa (eye worm)	hypothetical protein	0.0827	0.4636	0.4628
Mycobacterium ulcerans	aminopeptidase N PepN	0.0247	0.1011	0.5163
Plasmodium vivax	subtilisin-like protease 1	0.0702	0.3853	1
Echinococcus granulosus	integrin alpha ps	0.0235	0.0936	0.1966
Brugia malayi	Peptidase family M1 containing protein	0.0094	0.0053	0.0063
Echinococcus multilocularis	integrin alpha ps	0.049	0.2531	0.5365
Echinococcus multilocularis	gamma secretase subunit aph 1	0.0238	0.0956	0.2009
Loa Loa (eye worm)	peptidase family M1 containing protein	0.0563	0.2986	0.2977
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.0094	0.0053	0.0382
Echinococcus granulosus	glycylpeptide N tetradecanoyltransferase	0.0175	0.0565	0.1174
Brugia malayi	Peptidase family M1 containing protein	0.0247	0.1011	0.1586
Brugia malayi	hypothetical protein	0.0247	0.1011	0.1586
Loa Loa (eye worm)	angiotensin-converting enzyme family protein	0.0629	0.3396	0.3387
Plasmodium falciparum	ribonucleoside-diphosphate reductase large subunit, putative	0.0309	0.1399	0.3541
Schistosoma mansoni	hypothetical protein	0.0235	0.0936	0.1272
Schistosoma mansoni	ribonucleoside-diphosphate reductase alpha subunit	0.0309	0.1399	0.1911
Trypanosoma brucei	ribonucleoside-diphosphate reductase large chain	0.0309	0.1399	1
Trypanosoma cruzi	N-myristoyl transferase, putative	0.0175	0.0565	0.4036
Schistosoma mansoni	family M1 non-peptidase homologue (M01 family)	0.0153	0.0425	0.0568
Loa Loa (eye worm)	hypothetical protein	0.0153	0.0425	0.0412
Loa Loa (eye worm)	hypothetical protein	0.0469	0.24	0.239
Schistosoma mansoni	integrin alpha-ps	0.049	0.2531	0.3473
Schistosoma mansoni	integrin alpha	0.1093	0.63	0.8674
Brugia malayi	hypothetical protein	0.0094	0.0053	0.0063
Loa Loa (eye worm)	hypothetical protein	0.0603	0.3237	0.3228
Onchocerca volvulus		0.0716	0.3943	1
Schistosoma mansoni	Tata binding protein associated factor (M01 family)	0.0094	0.0053	0.0055
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0247	0.1011	0.2125
Plasmodium vivax	ribonucleoside-diphosphate reductase large chain, putative	0.0309	0.1399	0.3541
Loa Loa (eye worm)	TATA binding protein associated factor	0.0094	0.0053	0.004
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0094	0.0053	0.0382
Leishmania major	cytosolic leucyl aminopeptidase,metallo-peptidase, Clan MF, Family M17	0.0231	0.0914	0.6397
Onchocerca volvulus		0.0247	0.1011	0.2461
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0247	0.1011	0.8327
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0247	0.1011	0.2125
Treponema pallidum	ribonucleotide-diphosphate reductase subunit alpha	0.0309	0.1399	0.5
Loa Loa (eye worm)	hypothetical protein	0.0622	0.3358	0.3349
Giardia lamblia	CDC72	0.0175	0.0565	0.5
Schistosoma mansoni	integrin alpha-ps	0.0255	0.1062	0.1447
Echinococcus multilocularis	aminopeptidase N	0.0716	0.3943	0.8376
Schistosoma mansoni	cytosol alanyl aminopeptidase (M01 family)	0.0247	0.1011	0.1376
Leishmania major	N-myristoyl transferase, putative	0.0175	0.0565	0.3799
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0437	0.2199	0.5646
Echinococcus multilocularis	leukotriene A 4 hydrolase	0.0094	0.0053	0.0085
Toxoplasma gondii	aminopeptidase N, putative	0.0437	0.2199	0.3259
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0247	0.1011	0.2125
Loa Loa (eye worm)	hypothetical protein	0.0858	0.4832	0.4825
Plasmodium vivax	M17 leucyl aminopeptidase, putative	0.039	0.1908	0.488
Brugia malayi	Angiotensin-converting enzyme family protein	0.0629	0.3396	0.5381
Leishmania major	ribonucleoside-diphosphate reductase large chain, putative	0.0309	0.1399	1
Mycobacterium ulcerans	ribonucleotide-diphosphate reductase subunit alpha	0.0278	0.1203	0.62
Schistosoma mansoni	N-myristoyltransferase	0.0175	0.0565	0.076
Schistosoma mansoni	gamma-secretase subunit aph-1	0.0238	0.0956	0.1301
Trypanosoma cruzi	metallo-peptidase, Clan MA(E) Family M1	0.0153	0.0425	0.3038
Trypanosoma cruzi	aminopeptidase, putative	0.0094	0.0053	0.0382
Echinococcus multilocularis	ribonucleoside diphosphate reductase large	0.0309	0.1399	0.2953
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0247	0.1011	0.2125
Echinococcus multilocularis	integrin alpha 3	0.0838	0.4705	1
Mycobacterium tuberculosis	Probable aminopeptidase PepB	0.039	0.1908	1

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (binding)	= 0.7 uM	Activity at human TRPV1 in HEK cells assessed by measuring capsaicin-induced calcium level by FLIPR technology	ChEMBL.	18359227
EC50 (binding)	= 0.7 uM	Activity at human TRPV1 in HEK cells assessed by measuring capsaicin-induced calcium level by FLIPR technology	ChEMBL.	18359227
Ki (binding)		Displacement of [3H]RTX from human TRPV1 receptor expressed in HEK293 cells	ChEMBL.	18359227
Ki (binding)	0	Displacement of [3H]RTX from human TRPV1 receptor expressed in HEK293 cells	ChEMBL.	18359227

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: CHEMBL261036
PubChem: 3312764

Bibliographic References

1 literature reference was 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 511465