TDR Targets

Basic information

Technical information

TDR Targets ID: 1325259
Name: N-[(2-chlorophenyl)methyl]pentanamide
MW: 225.715 | Formula: C12H16ClNO
H donors: 1 H acceptors: 1 LogP: 3.03 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCCCC(=O)NCc1ccccc1Cl
InChi: 1S/C12H16ClNO/c1-2-3-8-12(15)14-9-10-6-4-5-7-11(10)13/h4-7H,2-3,8-9H2,1H3,(H,14,15)
InChiKey: PUOFAUIBAPIVKM-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-(2-chlorobenzyl)valeramide
ZINC02864869
MLS000664064
SMR000295147
STK175875
N-(2-chlorobenzyl)pentanamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	bromodomain adjacent to zinc finger domain, 2B	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Brugia malayi	Bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma mansoni	bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	Cleft lip and palate transmembrane protein 1-like protein, putative	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	Conserved hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	expressed protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	ko:K01549 ATP synthase [EC3.6.3.14], putative	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570

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
Brugia malayi	prolyl oligopeptidase family protein	0.0904	0.103	0.1027
Plasmodium vivax	hypothetical protein, conserved	0.0904	0.103	0.5
Echinococcus granulosus	acylamino acid releasing enzyme	0.0904	0.103	0.103
Schistosoma mansoni	subfamily S9B unassigned peptidase (S09 family)	0.8545	1	1
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0904	0.103	0.103
Brugia malayi	hypothetical protein	0.2932	0.341	0.3408
Leishmania major	dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B	0.5223	0.6099	1
Mycobacterium tuberculosis	Probable protease II PtrBb [second part] (oligopeptidase B)	0.0904	0.103	0.5
Loa Loa (eye worm)	hypothetical protein	0.0244	0.0254	0.0249
Leishmania major	prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative	0.0904	0.103	0.1681
Echinococcus granulosus	Lysosomal Pro X carboxypeptidase	0.4536	0.5293	0.5293
Brugia malayi	prolyl oligopeptidase family protein	0.0904	0.103	0.1027
Trypanosoma cruzi	dipeptidyl-peptidase 8-like serine peptidase	0.5223	0.6099	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0029	0.0023
Giardia lamblia	Alanyl dipeptidyl peptidase	0.0904	0.103	1
Loa Loa (eye worm)	hypothetical protein	0.2291	0.2657	0.2653
Echinococcus multilocularis	Lysosomal Pro X carboxypeptidase	0.0244	0.0254	0.0254
Trypanosoma cruzi	serine carboxypeptidase S28, putative	0.0244	0.0254	0.0408
Loa Loa (eye worm)	prolyl oligopeptidase	0.0904	0.103	0.1025
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0904	0.103	0.103
Brugia malayi	Bromodomain containing protein	0.0046	0.0022	0.0019
Trypanosoma cruzi	oligopeptidase b	0.0904	0.103	0.1681
Brugia malayi	Bromodomain containing protein	0.0091	0.0074	0.0071
Loa Loa (eye worm)	hypothetical protein	0.2932	0.341	0.3406
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0043	0.0019	0.0019
Trypanosoma cruzi	serine peptidase, clan SC, family S9A-like protein, putative	0.0904	0.103	0.1681
Echinococcus multilocularis	Lysosomal Pro X carboxypeptidase	0.4536	0.5293	0.5293
Echinococcus granulosus	Dipeptidyl peptidase 9	0.5223	0.6099	0.6099
Loa Loa (eye worm)	hypothetical protein	0.0244	0.0254	0.0249
Giardia lamblia	Alanyl dipeptidyl peptidase	0.0904	0.103	1
Trypanosoma brucei	prolyl oligopeptidase, putative	0.0904	0.103	0.1681
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0022	0.0017
Leishmania major	oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein	0.0904	0.103	0.1681
Brugia malayi	Cytochrome P450 family protein	0.0032	0.0005	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0244	0.0254	0.0249
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0904	0.103	1
Schistosoma mansoni	lysosomal Pro-Xaa carboxypeptidase (S28 family)	0.0244	0.0254	0.0254
Toxoplasma gondii	hypothetical protein	0.0904	0.103	0.1839
Loa Loa (eye worm)	prolyl oligopeptidase	0.8545	1	1
Plasmodium falciparum	peptidase, putative	0.0904	0.103	0.5
Trypanosoma cruzi	serine peptidase, Clan SC, Family S9B	0.5223	0.6099	1
Trypanosoma cruzi	oligopeptidase b	0.0904	0.103	0.1681
Brugia malayi	Serine protease Z688.6 precursor	0.0244	0.0254	0.0251
Trypanosoma brucei	serine peptidase, clan SC, family S9A-like protein	0.0904	0.103	0.1681
Echinococcus granulosus	Lysosomal Pro X carboxypeptidase	0.0244	0.0254	0.0254
Leishmania major	oligopeptidase b	0.0904	0.103	0.1681
Trypanosoma cruzi	prolyl endopeptidase	0.0904	0.103	0.1681
Trypanosoma cruzi	serine carboxypeptidase S28, putative	0.0244	0.0254	0.0408
Schistosoma mansoni	acylaminoacyl-peptidase (S09 family)	0.0904	0.103	0.103
Echinococcus multilocularis	Dipeptidyl peptidase 9	0.5223	0.6099	0.6099
Toxoplasma gondii	acylaminoacyl-peptidase, putative	0.0904	0.103	0.1839
Entamoeba histolytica	dipeptidyl-peptidase, putative	0.0904	0.103	1
Entamoeba histolytica	prolyl oligopeptidase family protein	0.0904	0.103	1
Trypanosoma brucei	serine peptidase, Clan SC, Family S9B	0.5223	0.6099	1
Onchocerca volvulus	Prolyl endopeptidase homolog	0.0904	0.103	0.0796
Loa Loa (eye worm)	hypothetical protein	0.0904	0.103	0.1025
Mycobacterium leprae	PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B)	0.0904	0.103	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0904	0.103	0.1681
Echinococcus granulosus	dipeptidyl aminopeptidaseprotein	0.8545	1	1
Trichomonas vaginalis	Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase	0.0904	0.103	1
Trypanosoma brucei	Alpha/beta hydrolase domain-containing protein	0.0904	0.103	0.1681
Mycobacterium ulcerans	protease II (oligopeptidase B), PtrB	0.0904	0.103	1
Loa Loa (eye worm)	hypothetical protein	0.0244	0.0254	0.0249
Entamoeba histolytica	hypothetical protein, conserved	0.0904	0.103	1
Echinococcus multilocularis	dipeptidyl aminopeptidaseprotein	0.8545	1	1
Schistosoma mansoni	dipeptidyl-peptidase 9 (S09 family)	0.5223	0.6099	0.6099
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0043	0.0019	0.0019
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0072	0.0053	0.0053
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0904	0.103	0.103
Loa Loa (eye worm)	hypothetical protein	0.0904	0.103	0.1025
Schistosoma mansoni	bromodomain containing protein	0.0076	0.0058	0.0058
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0072	0.0053	0.0053
Trypanosoma brucei	oligopeptidase b	0.0904	0.103	0.1681
Trypanosoma cruzi	oligopeptidase B-like protein, putative	0.0904	0.103	0.1681
Schistosoma mansoni	family S28 unassigned peptidase (S28 family)	0.4536	0.5293	0.5293
Entamoeba histolytica	prolyl oligopeptidase family protein	0.0904	0.103	1
Trichomonas vaginalis	conserved hypothetical protein	0.0904	0.103	1
Onchocerca volvulus	Dipeptidyl peptidase family member 1 homolog	0.8545	1	1
Trypanosoma brucei	prolyl endopeptidase	0.0904	0.103	0.1681
Echinococcus granulosus	prolyl endopeptidase	0.0904	0.103	0.103
Entamoeba histolytica	dipeptidyl-peptidase, putative	0.0904	0.103	1
Brugia malayi	Serine protease Z688.6 precursor	0.0244	0.0254	0.0251
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0068	0.0063
Trypanosoma cruzi	hypothetical protein, conserved	0.0904	0.103	0.1681
Echinococcus multilocularis	acylamino acid releasing enzyme	0.0904	0.103	0.103
Brugia malayi	prolyl oligopeptidase family protein	0.5223	0.6099	0.6098
Trypanosoma cruzi	putative prolyl carboxypeptidase, putative	0.0244	0.0254	0.0408
Toxoplasma gondii	dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein	0.3836	0.4472	1
Trypanosoma brucei	Dipeptidyl-peptidase 8-like, putative	0.5223	0.6099	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0026	0.0021
Echinococcus multilocularis	prolyl endopeptidase	0.0904	0.103	0.103
Brugia malayi	Serine carboxypeptidase S28 family protein	0.0244	0.0254	0.0251
Entamoeba histolytica	prolyl oligopeptidase family protein	0.0904	0.103	1
Toxoplasma gondii	prolyl endopeptidase	0.0904	0.103	0.1839
Brugia malayi	prolyl oligopeptidase family protein	0.0904	0.103	0.1027
Brugia malayi	Cytochrome P450 family protein	0.0032	0.0005	0.0002
Mycobacterium tuberculosis	Probable peptidase	0.0904	0.103	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.3696 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	1 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	14.7157 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	21.3313 uM	PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411]	ChEMBL.	No reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1452687

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 1325259