TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 318.369 | Formula: C20H18N2O2
H donors: 1 H acceptors: 1 LogP: 4.13 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Cc1cc(ccc1O)C1=NN(C(C1)c1ccco1)c1ccccc1
InChi: 1S/C20H18N2O2/c1-14-12-15(9-10-19(14)23)17-13-18(20-8-5-11-24-20)22(21-17)16-6-3-2-4-7-16/h2-12,18,23H,13H2,1H3
InChiKey: BZQAGMFANWMRRV-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

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
Wolbachia endosymbiont of Brugia malayi	acetylornithine transaminase protein	0.0048	0.0425	1
Plasmodium falciparum	ornithine aminotransferase	0.0048	0.0425	0.9822
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0129	0.176	0.176
Plasmodium falciparum	holo-[acyl-carrier-protein] synthase, putative	0.0026	0.0067	0.1541
Entamoeba histolytica	hypothetical protein	0.004	0.0295	1
Loa Loa (eye worm)	thioredoxin reductase	0.0048	0.0432	0.0432
Leishmania major	trypanothione reductase	0.0048	0.0432	0.216
Mycobacterium tuberculosis	Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA	0.0334	0.5149	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.004	0.0295	0.0295
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0056	0.0568	1
Schistosoma mansoni	hypothetical protein	0.004	0.0295	0.1366
Schistosoma mansoni	ornithine--oxo-acid transaminase	0.0048	0.0425	0.1963
Giardia lamblia	Kinase, CMGC MAPK	0.0056	0.0568	0.5
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0147	0.2064	0.2064
Mycobacterium tuberculosis	Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase)	0.0048	0.0425	0.0705
Echinococcus granulosus	mitogen activated protein kinase 3	0.0056	0.0568	0.0568
Plasmodium vivax	thioredoxin reductase, putative	0.0048	0.0432	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0129	0.176	0.3332
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0147	0.2064	0.2064
Toxoplasma gondii	ornithine aminotransferase, mitochondrial precursor, putative	0.0048	0.0425	0.2114
Entamoeba histolytica	hypothetical protein	0.004	0.0295	1
Mycobacterium tuberculosis	Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at)	0.0048	0.0425	0.0705
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0129	0.176	0.176
Mycobacterium leprae	PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA	0.0334	0.5149	1
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0092	0.1152	0.1152
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0147	0.2064	0.954
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0122	0.1647	0.3109
Mycobacterium tuberculosis	Probable acetylornithine aminotransferase ArgD	0.0048	0.0425	0.0705
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0056	0.0568	1
Trichomonas vaginalis	acetylornithine aminotransferase, putative	0.0334	0.5149	1
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0092	0.1152	0.1152
Echinococcus multilocularis	ornithine aminotransferase	0.0048	0.0425	0.0425
Mycobacterium tuberculosis	Probable reductase	0.0109	0.1445	0.2713
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0147	0.2064	0.2064
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0122	0.1647	0.3109
Brugia malayi	MAP kinase sur-1	0.0056	0.0568	0.0568
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0056	0.0568	0.0568
Onchocerca volvulus		0.0092	0.1152	1
Echinococcus granulosus	L aminoadipate semialdehyde	0.0092	0.1152	0.1152
Treponema pallidum	4'-phosphopantetheinyl transferase	0.0026	0.0067	0.5
Schistosoma mansoni	lipoxygenase	0.0091	0.114	0.5269
Chlamydia trachomatis	glutamate-1-semialdehyde-2,1-aminomutase	0.0048	0.0425	1
Echinococcus multilocularis	muscleblind protein	0.0629	1	1
Echinococcus multilocularis	Aminotransferase class III	0.0048	0.0425	0.0425
Mycobacterium ulcerans	4-aminobutyrate aminotransferase	0.0048	0.0425	0.0705
Schistosoma mansoni	lipoxygenase	0.013	0.1785	0.825
Mycobacterium tuberculosis	Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase)	0.0048	0.0425	0.0705
Trypanosoma brucei	trypanothione reductase	0.0048	0.0432	0.7302
Entamoeba histolytica	hypothetical protein	0.004	0.0295	1
Loa Loa (eye worm)	glutathione reductase	0.0048	0.0432	0.0432
Plasmodium falciparum	thioredoxin reductase	0.0048	0.0432	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0129	0.176	0.3332
Brugia malayi	glutathione reductase	0.0048	0.0432	0.0432
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0129	0.176	0.3332
Mycobacterium leprae	PROBABLE GLUTAMATE-1-SEMIALDEHYDE 2,1-AMINOMUTASE HEML (GSA) (GLUTAMATE-1-SEMIALDEHYDE AMINOTRANSFERASE) (GSA-AT)	0.0048	0.0425	0.0705
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0147	0.2064	0.954
Schistosoma mansoni	aldehyde dehydrogenase	0.0129	0.176	0.8137
Loa Loa (eye worm)	hypothetical protein	0.0092	0.1152	0.1152
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.004	0.0295	0.0295
Mycobacterium ulcerans	acetylornithine aminotransferase	0.0048	0.0425	0.0705
Plasmodium vivax	glutathione reductase, putative	0.0048	0.0432	1
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0122	0.1647	0.3109
Brugia malayi	hypothetical protein	0.004	0.0295	0.0295
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0056	0.0568	1
Echinococcus granulosus	ornithine aminotransferase	0.0048	0.0425	0.0425
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0147	0.2064	0.2064
Toxoplasma gondii	aldehyde dehydrogenase	0.0129	0.176	1
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0056	0.0568	0.2958
Mycobacterium ulcerans	glutamate-1-semialdehyde aminotransferase	0.0048	0.0425	0.0705
Echinococcus multilocularis	ornithine aminotransferase	0.0048	0.0425	0.0425
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0109	0.1445	0.2713
Trypanosoma brucei	protein kinase, putative	0.0056	0.0568	1
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0109	0.1445	0.2713
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0056	0.0568	0.2958
Loa Loa (eye worm)	hypothetical protein	0.0629	1	1
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0048	0.0432	0.0432
Plasmodium falciparum	glutathione reductase	0.0048	0.0432	1
Schistosoma mansoni	transcription factor LCR-F1	0.004	0.0295	0.1366
Brugia malayi	4-aminobutyrate aminotransferase, mitochondrial precursor	0.0048	0.0425	0.0425
Echinococcus multilocularis	mitogen activated protein kinase	0.0056	0.0568	0.0568
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0129	0.176	0.3332
Echinococcus multilocularis	muscleblind protein 1	0.0629	1	1
Mycobacterium leprae	Probable Acetylornithine aminotransferase ArgD	0.0048	0.0425	0.0705
Echinococcus granulosus	mitogen activated protein kinase	0.0056	0.0568	0.0568
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0048	0.0432	0.072
Mycobacterium ulcerans	hypothetical protein	0.0334	0.5149	1
Schistosoma mansoni	serine/threonine protein kinase	0.0056	0.0568	0.2624
Loa Loa (eye worm)	hypothetical protein	0.0629	1	1
Plasmodium vivax	ornithine aminotransferase, putative	0.0048	0.0425	0.9822
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0056	0.0568	0.2958
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0092	0.1152	0.5327
Brugia malayi	Thioredoxin reductase	0.0048	0.0432	0.0432
Entamoeba histolytica	hypothetical protein	0.004	0.0295	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0147	0.2064	0.2064
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0109	0.1445	0.2713
Mycobacterium tuberculosis	Probable oxidoreductase	0.0122	0.1647	0.3109
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0109	0.1445	0.2713
Plasmodium vivax	holo-[acyl-carrier-protein] synthase, putative	0.0026	0.0067	0.1541
Echinococcus granulosus	thioredoxin glutathione reductase	0.0048	0.0432	0.0432
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0056	0.0568	1
Mycobacterium tuberculosis	Probable dehydrogenase	0.0109	0.1445	0.2713
Mycobacterium ulcerans	L-lysine aminotransferase	0.0048	0.0425	0.0705
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0109	0.1445	0.2713
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.013	0.1785	0.1785
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0056	0.0568	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0129	0.176	0.8137
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0147	0.2064	0.2064
Mycobacterium ulcerans	4-aminobutyrate aminotransferase	0.0048	0.0425	0.0705
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.013	0.1785	0.1785
Echinococcus granulosus	Aminotransferase class III	0.0048	0.0425	0.0425
Mycobacterium tuberculosis	Probable aminotransferase	0.0334	0.5149	1
Mycobacterium ulcerans	ornithine aminotransferase RocD1 and RocD2	0.0048	0.0425	0.0705
Mycobacterium leprae	Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM	0.0048	0.0425	0.0705
Toxoplasma gondii	thioredoxin reductase	0.0048	0.0432	0.216
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0147	0.2064	0.954
Echinococcus granulosus	muscleblind protein	0.0629	1	1
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0056	0.0568	0.0568
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0129	0.176	1
Mycobacterium ulcerans	adenosylmethionine-8-amino-7-oxononanoate aminotransferase	0.0334	0.5149	1

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

ChEMBL: CHEMBL2262474

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1840620