TDR Targets

Basic information

Technical information

TDR Targets ID: 665244
Name: 3-(1,3-benzodioxol-5-yl)-2-[(2-methylbenzoyl) amino]prop-2-enoic acid
MW: 325.315 | Formula: C18H15NO5
H donors: 2 H acceptors: 3 LogP: 3.1 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)/C(=C/c1ccc2c(c1)OCO2)/NC(=O)c1ccccc1C
InChi: 1S/C18H15NO5/c1-11-4-2-3-5-13(11)17(20)19-14(18(21)22)8-12-6-7-15-16(9-12)24-10-23-15/h2-9H,10H2,1H3,(H,19,20)(H,21,22)/b14-8+
InChiKey: DCYVSCDZEUMNCH-RIYZIHGNSA-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

(E)-3-(1,3-benzodioxol-5-yl)-2-[(2-methylbenzoyl)amino]prop-2-enoic acid
3-(1,3-benzodioxol-5-yl)-2-[[(2-methylphenyl)-oxomethyl]amino]prop-2-enoic acid
(E)-3-(1,3-benzodioxol-5-yl)-2-[[(2-methylphenyl)-oxomethyl]amino]prop-2-enoic acid
3-(1,3-benzodioxol-5-yl)-2-[(2-methylbenzoyl)amino]acrylic acid
(E)-3-(1,3-benzodioxol-5-yl)-2-[(2-methylbenzoyl)amino]acrylic acid
3-(1,3-benzodioxol-5-yl)-2-[(2-methylphenyl)carbonylamino]prop-2-enoic acid
(E)-3-(1,3-benzodioxol-5-yl)-2-[(2-methylphenyl)carbonylamino]prop-2-enoic acid

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
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0053	0.1272	0.1327
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0029	0.0327	0.0064
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0573	0.0515
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0573	0.0345
Schistosoma mansoni	neuropeptide receptor	0.0082	0.248	0.2237
Onchocerca volvulus		0.0233	0.8599	1
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0191	0.6892	0.8211
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0573	0.0345
Plasmodium falciparum	thioredoxin reductase	0.0084	0.2535	1
Echinococcus granulosus	thioredoxin glutathione reductase	0.0084	0.2555	0.4042
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0573	0.0314
Brugia malayi	beta-lactamase family protein	0.0035	0.0573	0.0769
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0573	0.0314
Mycobacterium tuberculosis	Probable esterase LipL	0.0035	0.0573	0.0325
Plasmodium vivax	SET domain protein, putative	0.0029	0.0327	0.0064
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0573	0.0325
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0573	0.1171
Mycobacterium tuberculosis	Probable oxidoreductase	0.0212	0.7757	0.9291
Brugia malayi	glutathione reductase	0.0084	0.2535	0.3403
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0035	0.0573	0.2336
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0029	0.0327	0.0026
Mycobacterium ulcerans	hypothetical protein	0.0035	0.0573	0.2336
Plasmodium falciparum	glutathione reductase	0.0084	0.2535	1
Mycobacterium ulcerans	lipase LipD	0.0035	0.0573	0.2336
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0035	0.0573	0.0325
Leishmania major	trypanothione reductase	0.0084	0.2535	1
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0573	0.0325
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0084	0.2555	0.401
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.117	0.1035
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0327	0.0015
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.117	0.1035
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0573	0.0769
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0573	0.0325
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0056	0.1426	0.2034
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0029	0.0313	0.042
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0056	0.1426	0.139
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0573	0.0345
Brugia malayi	Pre-SET motif family protein	0.0205	0.745	1
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0056	0.1426	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0573	0.0345
Trypanosoma cruzi	trypanothione reductase, putative	0.0084	0.2535	1
Echinococcus multilocularis	G protein coupled receptor 139	0.0082	0.248	0.3876
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0573	0.0314
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0029	0.0327	0.0026
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.005	0.117	0.3859
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0573	0.0345
Mycobacterium tuberculosis	Probable lipase LipE	0.0035	0.0573	0.0325
Mycobacterium tuberculosis	Probable lipase LipD	0.0035	0.0573	0.0325
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0029	0.0313	0.5
Brugia malayi	MAP kinase sur-1	0.005	0.117	0.1571
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0029	0.0313	0.5
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0035	0.0573	0.0325
Giardia lamblia	Kinase, CMGC MAPK	0.005	0.117	1
Trichomonas vaginalis	esterase, putative	0.0035	0.0573	0.0314
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0573	0.0345
Onchocerca volvulus		0.0035	0.0573	0.0297
Mycobacterium tuberculosis	Probable reductase	0.0191	0.6892	0.8211
Onchocerca volvulus		0.0035	0.0573	0.0297
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0573	0.1171
Trypanosoma brucei	protein kinase, putative	0.005	0.117	0.3859
Schistosoma mansoni	hypothetical protein	0.0167	0.5905	0.5773
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0056	0.1426	1
Echinococcus granulosus	neuropeptide receptor	0.0082	0.248	0.3908
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0212	0.7757	0.9291
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.005	0.117	0.3859
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0084	0.2535	0.2774
Trypanosoma brucei	trypanothione reductase	0.0084	0.2535	1
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0212	0.7757	1
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.005	0.117	0.1184
Echinococcus granulosus	histone lysine methyltransferase setb	0.0029	0.0327	0.0078
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0056	0.1426	0.5011
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0573	0.0314
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0573	0.0345
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0056	0.1426	0.115
Echinococcus granulosus	mitogen activated protein kinase	0.005	0.117	0.1578
Schistosoma mansoni	serine/threonine protein kinase	0.005	0.117	0.0885
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.005	0.117	0.3859
Brugia malayi	beta-lactamase	0.0035	0.0573	0.0769
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0029	0.0327	0.0015
Loa Loa (eye worm)	glutathione reductase	0.0084	0.2535	0.31
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0573	0.0269
Mycobacterium ulcerans	beta-lactamase	0.0035	0.0573	0.2336
Mycobacterium tuberculosis	Probable dehydrogenase	0.0191	0.6892	0.8211
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.117	0.1035
Toxoplasma gondii	ABC1 family protein	0.0035	0.0573	0.1171
Echinococcus multilocularis	geminin	0.0167	0.5905	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0573	0.0465
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0573	0.0345
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0573	0.0314
Mycobacterium tuberculosis	Probable hydrolase	0.0035	0.0573	0.0325
Echinococcus granulosus	geminin	0.0167	0.5905	1
Toxoplasma gondii	thioredoxin reductase	0.0084	0.2535	1
Brugia malayi	beta-lactamase family protein	0.0035	0.0573	0.0769
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0191	0.6892	0.8211
Echinococcus multilocularis	mitogen activated protein kinase 3	0.005	0.117	0.1533
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0205	0.745	1
Onchocerca volvulus		0.0035	0.0573	0.0297
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0327	0.0015
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.005	0.117	0.3859
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.005	0.117	0.3859
Brugia malayi	Pre-SET motif family protein	0.0029	0.0327	0.0439
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0191	0.6892	0.8795
Schistosoma mansoni	hypothetical protein	0.0167	0.5905	0.5773
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0029	0.0313	0.0053
Plasmodium vivax	thioredoxin reductase, putative	0.0084	0.2535	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0226	0.8325	1
Plasmodium vivax	glutathione reductase, putative	0.0084	0.2535	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0327	0.0015
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0029	0.0313	0.5
Leishmania major	hypothetical protein, conserved	0.0035	0.0573	0.1171
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.005	0.117	0.3859
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0035	0.0573	0.0325
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0056	0.1426	0.1992
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0056	0.1426	0.1915
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0191	0.6892	0.8211
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0573	0.0269
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0191	0.6892	0.8211
Loa Loa (eye worm)	thioredoxin reductase	0.0084	0.2535	0.31
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.005	0.117	0.3859
Echinococcus multilocularis	mitogen activated protein kinase	0.005	0.117	0.1533
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0573	0.1171
Brugia malayi	Thioredoxin reductase	0.0084	0.2535	0.3403
Echinococcus multilocularis	neuropeptide receptor	0.0082	0.248	0.3876
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0573	0.1171
Echinococcus granulosus	mitogen activated protein kinase 3	0.005	0.117	0.1578
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0212	0.7757	0.9291
Treponema pallidum	NADH oxidase	0.0029	0.0313	0.5
Trichomonas vaginalis	set domain proteins, putative	0.0233	0.8599	1
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.005	0.117	0.3859
Mycobacterium ulcerans	esterase/lipase LipP	0.0035	0.0573	0.2336
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.117	0.1035

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 665244