TDR Targets

Basic information

Technical information

TDR Targets ID: 1309342
Name: N-(cyclopentylideneamino)-4-methoxybenzamide
MW: 232.278 | Formula: C13H16N2O2
H donors: 1 H acceptors: 1 LogP: 1.81 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)C(=O)NN=C1CCCC1
InChi: 1S/C13H16N2O2/c1-17-12-8-6-10(7-9-12)13(16)15-14-11-4-2-3-5-11/h6-9H,2-5H2,1H3,(H,15,16)
InChiKey: VTQRKFAWRMSWMS-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-(cyclopentylideneamino)-4-methoxy-benzamide
ARONIS019034
4-Methoxy-benzoic acid cyclopentylidene-hydrazide
ST5234150
ZINC00292241
BAS 00548667

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	ataxin 2	Starlite/ChEMBL	No references
Homo sapiens	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references
Escherichia coli	penicillin-binding protein	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium tuberculosis	Possible penicillin-binding protein	Get druggable targets OG5_149948	All targets in OG5_149948

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
Entamoeba histolytica	hypothetical protein	0.0043	0.0326	0.5
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0097	0.1678	0.1415
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.0326	1
Schistosoma mansoni	subfamily S8B non-peptidase homologue (S08 family)	0.0102	0.178	0.1519
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0326	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.6192	1
Brugia malayi	beta-lactamase family protein	0.0043	0.0326	0.0326
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.0326	0.0326
Trichomonas vaginalis	conserved hypothetical protein	0.0083	0.132	0.1975
Toxoplasma gondii	SPRY domain-containing protein	0.0039	0.0222	0.6801
Echinococcus granulosus	proprotein convertase subtilisin:kexin type 5	0.0261	0.5779	0.5645
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.0326	0.0026
Brugia malayi	Hypothetical WD-repeat protein F21H12.1 in chromosome II	0.0074	0.1084	0.1084
Trichomonas vaginalis	conserved hypothetical protein	0.0074	0.1084	0.1551
Mycobacterium ulcerans	hypothetical protein	0.0043	0.0326	0.5
Loa Loa (eye worm)	endoprotease bli-4	0.043	1	1
Trypanosoma brucei	hypothetical protein, conserved	0.0043	0.0326	1
Trichomonas vaginalis	conserved hypothetical protein	0.0083	0.132	0.1975
Mycobacterium ulcerans	lipase LipD	0.0043	0.0326	0.5
Onchocerca volvulus		0.0089	0.1461	0.8394
Loa Loa (eye worm)	hypothetical protein	0.0074	0.1084	0.1084
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0261	0.5779	1
Echinococcus granulosus	neuroendocrine convertase 2	0.027	0.6001	0.5874
Brugia malayi	beta-lactamase	0.0043	0.0326	0.0326
Echinococcus granulosus	furin	0.043	1	1
Brugia malayi	celfurPC protein	0.0347	0.7918	0.7918
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0326	1
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0102	0.178	0.2803
Trichomonas vaginalis	conserved hypothetical protein	0.0083	0.132	0.1975
Schistosoma mansoni	hypothetical protein	0.0083	0.132	0.1045
Loa Loa (eye worm)	SPRY domain-containing protein	0.0039	0.0222	0.0222
Loa Loa (eye worm)	hypothetical protein	0.043	1	1
Trichomonas vaginalis	leucine-rich repeat protein, BspA family	0.0083	0.132	0.1975
Brugia malayi	SPRY domain containing protein	0.0043	0.0307	0.0307
Schistosoma mansoni	hypothetical protein	0.0043	0.0326	0.0019
Loa Loa (eye worm)	SPRY domain-containing protein	0.0043	0.0307	0.0307
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0326	0.0326
Toxoplasma gondii	ABC1 family protein	0.0043	0.0326	1
Echinococcus multilocularis	neuroendocrine convertase 2	0.027	0.6001	0.7481
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0326	0.0188
Trichomonas vaginalis	neuroendocrine convertase 2 precursor, putative	0.0083	0.132	0.1975
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0102	0.178	0.2803
Loa Loa (eye worm)	beta-lactamase	0.0043	0.0326	0.0326
Trichomonas vaginalis	conserved hypothetical protein	0.0083	0.132	0.1975
Trichomonas vaginalis	WD repeat domain, putative	0.0069	0.0971	0.1348
Brugia malayi	hypothetical protein	0.0043	0.0326	0.0326
Brugia malayi	Will die slowly protein	0.0069	0.0971	0.0971
Trichomonas vaginalis	retinoblastoma binding protein, putative	0.0074	0.1084	0.1551
Schistosoma mansoni	retinoblastoma binding protein	0.0074	0.1084	0.0802
Entamoeba histolytica	hypothetical protein	0.0043	0.0326	0.5
Giardia lamblia	High cysteine membrane protein Group 2	0.016	0.3237	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.0326	0.002
Loa Loa (eye worm)	proprotein convertase 2	0.0102	0.178	0.178
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0326	0.002
Trichomonas vaginalis	esterase, putative	0.0043	0.0326	0.0188
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0102	0.178	0.2803
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0326	0.0188
Mycobacterium leprae	conserved hypothetical protein	0.0043	0.0326	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0083	0.132	0.1975
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.0326	0.0024
Brugia malayi	beta-lactamase family protein	0.0043	0.0326	0.0326
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0102	0.178	0.2803
Echinococcus multilocularis	proprotein convertase subtilisin:kexin type 5	0.0261	0.5779	0.7189
Trichomonas vaginalis	conserved hypothetical protein	0.0083	0.132	0.1975
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0326	0.0326
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0102	0.178	0.2803
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0043	0.0326	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0083	0.132	0.1975
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0326	0.0326
Trichomonas vaginalis	conserved hypothetical protein	0.0083	0.132	0.1975
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0102	0.178	0.2803
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0326	0.002
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0261	0.5779	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0326	0.0326
Loa Loa (eye worm)	WD40 repeat protein	0.0069	0.0971	0.0971
Loa Loa (eye worm)	hypothetical protein	0.0097	0.1678	0.1678
Schistosoma mansoni	subfamily S8B unassigned peptidase (S08 family)	0.043	1	1
Echinococcus multilocularis	protein will die slowly	0.0069	0.0971	0.0873
Echinococcus granulosus	Furin 1	0.0102	0.178	0.1519
Brugia malayi	Trypsin family protein	0.0097	0.1678	0.1678
Plasmodium falciparum	SPRY domain, putative	0.0043	0.0307	1
Mycobacterium ulcerans	beta-lactamase	0.0043	0.0326	0.5
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0326	0.0188
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0326	0.0188
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.0326	0.0326
Echinococcus multilocularis		0.0347	0.7918	1
Schistosoma mansoni	furin-1 (S08 family)	0.0187	0.3919	0.3727
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.0307	0.0153
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.0326	0.0019
Leishmania major	hypothetical protein, conserved	0.0043	0.0326	1
Trichomonas vaginalis	hypothetical protein	0.0083	0.132	0.1975
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0326	0.0326
Echinococcus granulosus	protein will die slowly	0.0069	0.0971	0.0685
Echinococcus multilocularis	Furin 1	0.0102	0.178	0.1935
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.0307	0.0153
Trichomonas vaginalis	conserved hypothetical protein	0.0083	0.132	0.1975
Onchocerca volvulus		0.0097	0.1678	1
Loa Loa (eye worm)	hypothetical protein	0.0097	0.1678	0.1678
Trichomonas vaginalis	conserved hypothetical protein	0.0083	0.132	0.1975
Entamoeba histolytica	hypothetical protein	0.0043	0.0326	0.5
Mycobacterium leprae	Probable lipase LipE	0.0043	0.0326	0.5
Loa Loa (eye worm)	hypothetical protein	0.0169	0.3459	0.3459
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.0307	0.9404
Brugia malayi	proprotein convertase 2	0.027	0.6001	0.6001
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0326	0.0326
Echinococcus granulosus	wd40 repeat	0.0074	0.1084	0.0802
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.0326	0.0019
Trichomonas vaginalis	conserved hypothetical protein	0.0083	0.132	0.1975
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0326	0.0188
Echinococcus multilocularis	wd40 repeat	0.0074	0.1084	0.1021
Trichomonas vaginalis	proprotein convertase subtilisin/kexin type, putative	0.0083	0.132	0.1975
Mycobacterium ulcerans	esterase/lipase LipP	0.0043	0.0326	0.5
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0097	0.1678	0.1415
Brugia malayi	neuroendocrine convertase 1 precursor	0.027	0.6001	0.6001
Schistosoma mansoni	hypothetical protein	0.0069	0.0971	0.0685
Entamoeba histolytica	hypothetical protein	0.0043	0.0326	0.5
Onchocerca volvulus		0.0069	0.0971	0.4769

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.3162 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	ChEMBL.	No reference
Potency (functional)	6.5131 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	9.285 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)	15.8489 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	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: CHEMBL1422905

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 1309342