TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 283.322 | Formula: C17H17NO3
H donors: 1 H acceptors: 1 LogP: 3.3 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccccc1/C(=C/C=N/OCc1ccccc1)/O
InChi: 1S/C17H17NO3/c1-20-17-10-6-5-9-15(17)16(19)11-12-18-21-13-14-7-3-2-4-8-14/h2-12,19H,13H2,1H3/b16-11-,18-12+
InChiKey: IHQPWDKXPPUQNN-UBTMQFKDSA-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

No synonyms found for this compound

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
Leishmania major	malate dehydrogenase, putative	0.0018	0.0038	0.0884
Mycobacterium tuberculosis	Probable esterase LipL	0.0033	0.0378	0.083
Plasmodium vivax	hypothetical protein, conserved	0.0033	0.0378	1
Echinococcus granulosus	glutaminyl peptide cyclotransferase	0.0029	0.0297	0.7657
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0042	0.0592	1
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0038	0.0494	0.1087
Echinococcus multilocularis	glutaminyl peptide cyclotransferase	0.0029	0.0297	0.03
Echinococcus granulosus	lactate dehydrogenase a	0.0018	0.0038	0.0884
Trypanosoma brucei	beta lactamase	0.0028	0.0274	0.7059
Loa Loa (eye worm)	glutaminase	0.0096	0.1834	0.183
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0297	0.0292
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0033	0.0378	0.083
Echinococcus multilocularis	endoplasmic reticulum metallopeptidase 1	0.0029	0.0297	0.03
Schistosoma mansoni	serine/threonine protein kinase	0.0033	0.0386	0.0601
Trypanosoma brucei	hypothetical protein, conserved	0.0033	0.0378	0.9797
Toxoplasma gondii	peptidase, M28 family protein	0.0029	0.0297	0.7815
Schistosoma mansoni	nicalin (M28 family)	0.0029	0.0297	0.0458
Mycobacterium ulcerans	glutaminase	0.0096	0.1834	0.368
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0033	0.0386	0.0382
Mycobacterium ulcerans	esterase/lipase LipP	0.0033	0.0378	0.0247
Trichomonas vaginalis	D-aminoacylase, putative	0.0033	0.0378	0.2063
Trichomonas vaginalis	CAMK family protein kinase	0.0033	0.0386	0.2105
Trypanosoma brucei	glutaminyl cyclase, putative	0.0029	0.0297	0.7657
Trichomonas vaginalis	glutaminase, putative	0.0096	0.1834	1
Schistosoma mansoni	glutaminyl cyclase (M28 family)	0.0029	0.0297	0.0458
Trypanosoma cruzi	polo-like protein kinase, putative	0.0033	0.0386	1
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0038	0.0494	0.1087
Loa Loa (eye worm)	glutaminase 2	0.0096	0.1834	0.183
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0378	0.0374
Brugia malayi	leucyl aminopeptidase	0.0029	0.0297	0.1598
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0033	0.0386	0.0392
Trichomonas vaginalis	conserved hypothetical protein	0.0029	0.0297	0.1617
Echinococcus multilocularis	lactate dehydrogenase protein	0.0018	0.0038	0.0035
Mycobacterium tuberculosis	Probable lipase LipD	0.0033	0.0378	0.083
Toxoplasma gondii	lactate dehydrogenase LDH2	0.0018	0.0038	0.0903
Echinococcus multilocularis	lactate dehydrogenase a	0.0018	0.0038	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0038	0.0034
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0042	0.0592	0.1303
Trypanosoma cruzi	polo-like protein kinase, putative	0.0033	0.0386	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0033	0.0378	0.9797
Trichomonas vaginalis	D-aminoacylase, putative	0.0033	0.0378	0.2063
Echinococcus multilocularis	endoplasmic reticulum metallopeptidase 1	0.0029	0.0297	0.03
Schistosoma mansoni	Fxna peptidase (M28 family)	0.0029	0.0297	0.0458
Trichomonas vaginalis	CAMK family protein kinase	0.0033	0.0386	0.2105
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0038	0.0494	0.1087
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0038	0.0494	0.1087
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0033	0.0378	0.0384
Trypanosoma brucei	polo-like protein kinase	0.0033	0.0386	1
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0033	0.0386	1
Mycobacterium ulcerans	lipoprotein aminopeptidase LpqL	0.004	0.0544	0.0637
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0033	0.0378	0.0589
Schistosoma mansoni	NAALADASE L peptidase (M28 family)	0.0289	0.6261	1
Brugia malayi	nicalin	0.0029	0.0297	0.1598
Trichomonas vaginalis	penicillin-binding protein, putative	0.0033	0.0378	0.2063
Trichomonas vaginalis	conserved hypothetical protein	0.0029	0.0297	0.1617
Mycobacterium tuberculosis	Probable oxidoreductase	0.0213	0.4513	1
Mycobacterium ulcerans	lipase LipD	0.0033	0.0378	0.0247
Leishmania major	hypothetical protein, conserved	0.0029	0.0297	0.7657
Mycobacterium tuberculosis	Probable lipase LipE	0.0033	0.0378	0.083
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0038	0.0494	0.6938
Mycobacterium tuberculosis	Conserved protein	0.0033	0.0378	0.083
Wolbachia endosymbiont of Brugia malayi	malate dehydrogenase	0.0018	0.0038	0.5
Mycobacterium tuberculosis	Probable hydrolase	0.0033	0.0378	0.083
Echinococcus multilocularis	n acetylated alpha linked acidic dipeptidase 2	0.0441	0.9753	1
Echinococcus granulosus	endoplasmic reticulum metallopeptidase 1	0.0029	0.0297	0.7657
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0378	0.0374
Trichomonas vaginalis	Clan MH, family M28, aminopeptidase S-like metallopeptidase	0.0029	0.0297	0.1617
Schistosoma mansoni	L-lactate dehydrogenase	0.0018	0.0038	0.0045
Toxoplasma gondii	lactate dehydrogenase LDH1	0.0018	0.0038	0.0903
Echinococcus granulosus	endoplasmic reticulum metallopeptidase 1	0.0029	0.0297	0.7657
Schistosoma mansoni	malate dehydrogenase	0.0018	0.0038	0.0045
Onchocerca volvulus		0.0033	0.0378	0.9134
Toxoplasma gondii	hypothetical protein	0.0029	0.0297	0.7815
Trichomonas vaginalis	CAMK family protein kinase	0.0033	0.0386	0.2105
Brugia malayi	lactate dehydrogenase.	0.0018	0.0038	0.0185
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0378	0.0374
Mycobacterium tuberculosis	Probable oxidoreductase	0.0042	0.0592	0.1303
Mycobacterium tuberculosis	Probable dehydrogenase	0.0038	0.0494	0.1087
Brugia malayi	beta-lactamase	0.0033	0.0378	0.2044
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0378	0.0374
Trypanosoma cruzi	hypothetical protein, conserved	0.0033	0.0378	0.9797
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0033	0.0378	0.083
Mycobacterium tuberculosis	Probable conserved lipoprotein LpqF	0.0028	0.0274	0.0598
Plasmodium vivax	lactate dehydrogenase	0.0018	0.0038	0.0903
Echinococcus multilocularis	L lactate dehydrogenase B chain	0.0018	0.0038	0.0035
Schistosoma mansoni	glutaminyl-peptide cyclotransferase-related	0.0029	0.0297	0.0458
Giardia lamblia	Kinase, PLK	0.0033	0.0386	0.5
Loa Loa (eye worm)	leucyl aminopeptidase	0.0029	0.0297	0.0292
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0297	0.0292
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0033	0.0386	1
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0042	0.0592	0.1303
Schistosoma mansoni	glutaminase	0.0096	0.1834	0.2918
Loa Loa (eye worm)	hypothetical protein	0.03	0.6508	0.6506
Echinococcus granulosus	lactate dehydrogenase protein	0.0018	0.0038	0.0884
Mycobacterium ulcerans	beta-lactamase	0.0033	0.0378	0.0247
Mycobacterium tuberculosis	Probable reductase	0.0038	0.0494	0.1087
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0033	0.0378	0.0589
Trichomonas vaginalis	CAMK family protein kinase	0.0033	0.0386	0.2105
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0033	0.0378	0.2044
Plasmodium falciparum	L-lactate dehydrogenase	0.0018	0.0038	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0033	0.0378	0.2063
Loa Loa (eye worm)	hypothetical protein	0.0412	0.9078	0.9077
Echinococcus multilocularis	lactate dehydrogenase a	0.0018	0.0038	0.0035
Onchocerca volvulus		0.0033	0.0378	0.9134
Trypanosoma cruzi	glutaminyl cyclase, putative	0.0029	0.0297	0.7657
Toxoplasma gondii	malate dehydrogenase MDH	0.0018	0.0038	0.0903
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0297	0.0292
Trichomonas vaginalis	CAMK family protein kinase	0.0033	0.0386	0.2105
Mycobacterium leprae	Probable lipase LipE	0.0033	0.0378	0.3286
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0033	0.0378	0.083
Loa Loa (eye worm)	beta-lactamase	0.0033	0.0378	0.0374
Mycobacterium tuberculosis	Conserved protein	0.0029	0.0297	0.0648
Trypanosoma cruzi	glutaminyl cyclase, putative	0.0029	0.0297	0.7657
Trichomonas vaginalis	penicillin-binding protein, putative	0.0033	0.0378	0.2063
Brugia malayi	serine/threonine-protein kinase plk-2	0.0033	0.0386	0.2087
Onchocerca volvulus		0.0033	0.0378	0.9134
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0033	0.0386	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0378	0.0374
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0378	0.0374
Mycobacterium tuberculosis	Class a beta-lactamase BlaC	0.0059	0.098	0.2165
Brugia malayi	FXNA	0.0029	0.0297	0.1598
Leishmania major	hypothetical protein, conserved	0.0033	0.0378	0.9797
Echinococcus granulosus	L lactate dehydrogenase B chain	0.0018	0.0038	0.0884
Mycobacterium ulcerans	short chain dehydrogenase	0.0213	0.4513	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0033	0.0378	0.0374
Mycobacterium ulcerans	hypothetical protein	0.0029	0.0297	0.0054
Echinococcus granulosus	beta LACTamase domain containing family member	0.0033	0.0378	0.9797
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0033	0.0386	1
Brugia malayi	glutaminase DH11.1	0.0096	0.1834	1
Echinococcus multilocularis	lactate dehydrogenase a	0.0018	0.0038	0.0035
Leishmania major	glutaminyl cyclase, putative	0.0029	0.0297	0.7657
Plasmodium vivax	malate dehydrogenase, putative	0.0018	0.0038	0.0903
Brugia malayi	beta-lactamase family protein	0.0033	0.0378	0.2044
Trichomonas vaginalis	CAMK family protein kinase	0.0033	0.0386	0.2105
Mycobacterium tuberculosis	Probable lipoprotein aminopeptidase LpqL	0.004	0.0544	0.1197
Toxoplasma gondii	ABC1 family protein	0.0033	0.0378	1
Trichomonas vaginalis	esterase, putative	0.0033	0.0378	0.2063
Mycobacterium ulcerans	hypothetical protein	0.0033	0.0378	0.0247
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.021	0.4456	0.9874
Echinococcus granulosus	lactate dehydrogenase a	0.0018	0.0038	0.0884
Trichomonas vaginalis	conserved hypothetical protein	0.0029	0.0297	0.1617
Mycobacterium leprae	conserved hypothetical protein	0.0033	0.0378	0.3286
Brugia malayi	beta-lactamase family protein	0.0033	0.0378	0.2044
Brugia malayi	Peptidase family M28 containing protein	0.0029	0.0297	0.1598
Mycobacterium ulcerans	class a beta-lactamase, BlaC	0.0059	0.098	0.1667
Trichomonas vaginalis	CAMK family protein kinase	0.0033	0.0386	0.2105
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0033	0.0378	0.0247
Plasmodium falciparum	malate dehydrogenase	0.0018	0.0038	1
Mycobacterium tuberculosis	Conserved protein	0.0033	0.0378	0.083
Mycobacterium tuberculosis	Conserved protein	0.0033	0.0378	0.083

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	> 25 uM	inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.	ChEMBL.	1433212
IC50 (binding)	> 25 uM	inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.	ChEMBL.	1433212

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

No external resources registered for this compound

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 226308