TDR Targets

Basic information

Technical information

TDR Targets ID: 672634
Name: [(5-methyl-4-oxo-2-propan-2-yl-1-cyclohexa-2, 5-dienylidene)amino] 4-methoxybenzoate
MW: 313.348 | Formula: C18H19NO4
H donors: 0 H acceptors: 2 LogP: 3.53 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)C(=O)O/N=C\1/C=C(C)C(=O)C=C1C(C)C
InChi: 1S/C18H19NO4/c1-11(2)15-10-17(20)12(3)9-16(15)19-23-18(21)13-5-7-14(22-4)8-6-13/h5-11H,1-4H3/b19-16+
InChiKey: UJFKBWSUSXGCLC-KNTRCKAVSA-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

[(2-isopropyl-5-methyl-4-oxo-1-cyclohexa-2,5-dienylidene)amino] 4-methoxybenzoate
4-methoxybenzoic acid [(2-isopropyl-5-methyl-4-oxo-1-cyclohexa-2,5-dienylidene)amino] ester
4-methoxybenzoic acid [(2-isopropyl-4-keto-5-methyl-1-cyclohexa-2,5-dienylidene)amino] ester
ZINC00102156

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
Schistosoma mansoni	inositol monophosphatase	0.0076	0.0302	0.0302
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.0035	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.0064	0.1068
Loa Loa (eye worm)	hypothetical protein	0.0146	0.0628	0.0628
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0177	0.0177
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0064	0.0064
Brugia malayi	Inositol-1	0.0076	0.0302	0.0302
Brugia malayi	hypothetical protein	0.0243	0.1075	0.1075
Plasmodium falciparum	acyl-CoA synthetase	0.0018	0.0035	0.4997
Echinococcus multilocularis	muscleblind protein	0.0146	0.0628	0.0628
Echinococcus granulosus	GPCR family 2	0.0015	0.0023	0.0023
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0064	0.0064
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0076	0.0302	0.0792
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0015	0.0023	0.0023
Loa Loa (eye worm)	STE/STE11/ASK protein kinase	0.0656	0.2992	0.2996
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.0169	0.0169
Echinococcus granulosus	geminin	0.0174	0.0757	0.0757
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0015	0.0023	0.0023
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0169	0.0169
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0035	0.0036
Schistosoma mansoni	hypothetical protein	0.0015	0.0023	0.0023
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0076	0.0302	1
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0064	0.0064
Mycobacterium ulcerans	hypothetical protein	0.0024	0.0064	0.1068
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.0169	0.0169
Schistosoma mansoni	hypothetical protein	0.0049	0.018	0.018
Schistosoma mansoni	protein kinase	0.2169	1	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0106	0.0106
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0656	0.2992	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0169	0.0169
Schistosoma mansoni	protein kinase	0.2169	1	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0064	0.0064
Schistosoma mansoni	hypothetical protein	0.0012	0.0005	0.0005
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0049	0.018	0.018
Loa Loa (eye worm)	hypothetical protein	0.0653	0.2977	0.2981
Schistosoma mansoni	hypothetical protein	0.0174	0.0757	0.0757
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0015	0.0023	0.0023
Echinococcus granulosus	inositol monophosphatase 1	0.0076	0.0302	0.0302
Schistosoma mansoni	hypothetical protein	0.0174	0.0757	0.0757
Schistosoma mansoni	hypothetical protein	0.0015	0.0023	0.0023
Plasmodium vivax	acyl-CoA synthetase, putative	0.0018	0.0035	0.4997
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0177	0.0177
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0035	0.0036
Loa Loa (eye worm)	hypothetical protein	0.2165	0.9985	1
Echinococcus multilocularis	inositol monophosphatase 1	0.0076	0.0302	0.0302
Schistosoma mansoni	hypothetical protein	0.0015	0.0023	0.0023
Leishmania major	hypothetical protein, conserved	0.0026	0.0071	0.0294
Trichomonas vaginalis	inositol monophosphatase, putative	0.0076	0.0302	1
Schistosoma mansoni	inositol monophosphatase	0.0076	0.0302	0.0302
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0064	0.141
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0169	0.0169
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0064	0.1068
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.0064	0.1068
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0177	0.0177
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0015	0.0023	0.0023
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.2169	1	1
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0076	0.0302	1
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0076	0.0302	1
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0035	0.0196
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0015	0.0023	0.0023
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.0064	0.141
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0076	0.0302	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0177	0.0177
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0064	0.1068
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0169	0.0169
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0064	0.1068
Brugia malayi	Latrophilin receptor protein 2	0.0015	0.0023	0.0023
Plasmodium vivax	ataxin-2 like protein, putative	0.0026	0.0071	1
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0012	0.0005	0.0005
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.0064	0.1068
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0076	0.0302	0.5
Echinococcus multilocularis	GPCR, family 2	0.0015	0.0023	0.0023
Echinococcus multilocularis	geminin	0.0174	0.0757	0.0757
Brugia malayi	hypothetical protein	0.0017	0.0029	0.0029
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0076	0.0302	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0035	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0035	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0243	0.1075	0.1077
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0023	0.0023
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0064	0.0064
Schistosoma mansoni	hypothetical protein	0.0033	0.0106	0.0106
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0076	0.0302	1
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0064	0.0064
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0656	0.2992	1
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0012	0.0005	0.0005
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0071	1
Echinococcus multilocularis	survival motor neuron protein 1	0.0243	0.1075	0.1075
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0169	0.0169
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0035	0.0036
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0068	0.0266	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0106	0.0106
Brugia malayi	hypothetical protein	0.0026	0.0071	0.0071
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0071	0.0071
Schistosoma mansoni	survival motor neuron protein	0.0049	0.018	0.018
Echinococcus granulosus	muscleblind protein	0.0146	0.0628	0.0628
Loa Loa (eye worm)	hypothetical protein	0.0146	0.0628	0.0628
Onchocerca volvulus		0.0049	0.018	1
Echinococcus granulosus	survival motor neuron protein 1	0.0243	0.1075	0.1075
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0071	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0015	0.0023	0.0023
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0076	0.0302	1
Echinococcus granulosus	mitogen activated protein kinase kinase kinase	0.2169	1	1
Schistosoma mansoni	hypothetical protein	0.0015	0.0023	0.0023
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0169	0.0169
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0068	0.0266	1
Brugia malayi	Muscleblind-like protein	0.0146	0.0628	0.0628
Echinococcus multilocularis	muscleblind protein 1	0.0146	0.0628	0.0628
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.0064	0.1068
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0076	0.0302	0.0792
Loa Loa (eye worm)	inositol-1	0.0076	0.0302	0.0303
Toxoplasma gondii	LsmAD domain-containing protein	0.0026	0.0071	0.2348
Onchocerca volvulus		0.0024	0.0064	0.3547
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0169	0.0169

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 672634