TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 270.33 | Formula: C15H18N4O
H donors: 1 H acceptors: 2 LogP: 2.53 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)N(c1nc(N)nc2c1CCC2)C
InChi: 1S/C15H18N4O/c1-19(10-6-8-11(20-2)9-7-10)14-12-4-3-5-13(12)17-15(16)18-14/h6-9H,3-5H2,1-2H3,(H2,16,17,18)
InChiKey: KAIOANMKTZOQEO-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
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0029	0.5437	0.5437
Echinococcus multilocularis	aldo keto reductase	0.0029	0.5437	0.5437
Echinococcus granulosus	kelch protein 3	0	0.0003	0.0003
Echinococcus granulosus	voltage gated potassium channel subunit	0.0008	0.1555	0.1559
Entamoeba histolytica	aldose reductase, putative	0.0029	0.5437	1
Brugia malayi	glutamate-cysteine ligase modifier subunit	0.0008	0.1555	0.286
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0029	0.5437	0.5437
Trichomonas vaginalis	aldo-keto reductase, putative	0.0029	0.5437	1
Schistosoma mansoni	hypothetical protein	0	0.0003	0.0003
Schistosoma mansoni	hypothetical protein	0	0.0003	0.0003
Plasmodium falciparum	aldehyde reductase, putative	0.0008	0.1555	0.5
Echinococcus multilocularis	kelch protein 12	0	0.0003	0.0003
Loa Loa (eye worm)	kelch domain-containing protein family protein	0	0.0003	0.0005
Echinococcus multilocularis	voltage gated potassium channel subunit	0.0008	0.1555	0.1555
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0029	0.5437	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0029	0.5437	0.5452
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0029	0.5437	1
Trypanosoma brucei	prostaglandin f synthase	0.0029	0.5437	1
Trypanosoma cruzi	aldo/keto reductase, putative	0.0029	0.5437	1
Mycobacterium ulcerans	oxidoreductase	0.0029	0.5437	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0029	0.5437	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0029	0.5437	0.5437
Echinococcus multilocularis	kelch protein 10	0	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0029	0.5437	1
Echinococcus granulosus	kelch ECH associated protein 1 like	0.0052	0.9972	1
Leishmania major	aldo-keto reductase-like protein	0.0029	0.5437	1
Entamoeba histolytica	aldose reductase, putative	0.0029	0.5437	1
Brugia malayi	Kelch motif family protein	0	0.0003	0.0005
Schistosoma mansoni	pol-related	0.0029	0.5437	0.5437
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0029	0.5437	0.5437
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0029	0.5437	0.5452
Brugia malayi	NADH-dependent xylose reductase	0.0008	0.1555	0.286
Echinococcus granulosus	kelch protein 18	0	0.0003	0.0003
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.002	0.3781	0.3781
Loa Loa (eye worm)	Klhl5 protein	0	0.0003	0.0005
Leishmania major	prostaglandin f synthase, putative	0.0029	0.5437	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0029	0.5437	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0029	0.5437	0.5452
Onchocerca volvulus		0.0029	0.5437	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0029	0.5437	0.5452
Trichomonas vaginalis	aldo/keto reductase, putative	0.0029	0.5437	1
Echinococcus granulosus	kelch protein 12	0	0.0003	0.0003
Loa Loa (eye worm)	oxidoreductase	0.0029	0.5437	1
Echinococcus multilocularis	kelch protein 18	0	0.0003	0.0003
Brugia malayi	hypothetical protein	0.002	0.3781	0.6955
Echinococcus multilocularis	aldehyde reductase	0.002	0.3854	0.3854
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0008	0.1555	0.286
Trichomonas vaginalis	aldo-keto reductase, putative	0.0029	0.5437	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0029	0.5437	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0029	0.5437	0.5437
Onchocerca volvulus		0.0029	0.5437	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0029	0.5437	0.5452
Trypanosoma brucei	aldo-keto reductase, putative	0.0029	0.5437	1
Entamoeba histolytica	hypothetical protein	0.002	0.3781	0.5736
Entamoeba histolytica	hypothetical protein	0.002	0.3781	0.5736
Schistosoma mansoni	hypothetical protein	0.002	0.3781	0.3781
Echinococcus multilocularis	kelch protein 3	0	0.0003	0.0003
Echinococcus granulosus	hypothetical protein	0.0029	0.5437	0.5452
Trichomonas vaginalis	aldo-keto reductase, putative	0.0029	0.5437	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0029	0.5437	1
Echinococcus granulosus	aldehyde reductase	0.002	0.3854	0.3865
Mycobacterium leprae	Conserved hypothetical protein	0.002	0.3854	0.5922
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0029	0.5437	0.5452
Echinococcus multilocularis	kelch ECH associated protein 1	0.0052	0.9972	0.9972
Schistosoma mansoni	hypothetical protein	0	0.0003	0.0003
Loa Loa (eye worm)	oxidoreductase	0.0029	0.5437	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0029	0.5437	0.5437
Echinococcus granulosus	aldo keto reductase	0.0029	0.5437	0.5452
Trichomonas vaginalis	aldo-keto reductase, putative	0.0029	0.5437	1
Echinococcus multilocularis	aldo keto reductase	0.0029	0.5437	0.5437
Echinococcus multilocularis	kelch ECH associated protein 1	0.0052	0.9972	0.9972
Onchocerca volvulus		0.0029	0.5437	1
Brugia malayi	Kelch motif family protein	0	0.0003	0.0005
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.002	0.3781	0.3792
Trichomonas vaginalis	aldo-keto reductase, putative	0.0029	0.5437	1
Schistosoma mansoni	aldo-keto reductase	0.0029	0.5437	0.5437
Schistosoma mansoni	potassium channel beta	0.0008	0.1555	0.1555
Entamoeba histolytica	aldose reductase, putative	0.0029	0.5437	1
Plasmodium vivax	aldehyde reductase, putative	0.0008	0.1555	0.5
Onchocerca volvulus		0.0008	0.1555	0.286
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0029	0.5437	0.5437
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0029	0.5437	1
Onchocerca volvulus		0.0029	0.5437	1
Trypanosoma cruzi	aldo-keto reductase	0.0029	0.5437	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0029	0.5437	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0029	0.5437	1
Echinococcus multilocularis	ectoderm neural cortex protein 1	0	0.0003	0.0003
Loa Loa (eye worm)	oxidoreductase	0.0029	0.5437	1
Echinococcus granulosus	kelch ECH associated protein 1	0.0052	0.9972	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0029	0.5437	0.5452
Brugia malayi	BTB/POZ domain containing protein	0	0.0003	0.0005
Echinococcus granulosus	kelch protein 10	0	0.0003	0.0003
Trichomonas vaginalis	aldo-keto reductase, putative	0.0029	0.5437	1
Schistosoma mansoni	hypothetical protein	0	0.0003	0.0003
Schistosoma mansoni	hypothetical protein	0	0.0003	0.0003
Loa Loa (eye worm)	oxidoreductase	0.0029	0.5437	1
Echinococcus granulosus	kelch ECH associated protein 1 like	0.0052	0.9972	1
Schistosoma mansoni	hypothetical protein	0.0052	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0029	0.5437	0.5437
Plasmodium vivax	oxidoreductase, aldo/keto reductase domain containing protein	0.0008	0.1555	0.5
Echinococcus granulosus	aldo keto reductase family 1, member B4	0.0008	0.1555	0.1559
Schistosoma mansoni	hypothetical protein	0	0.0003	0.0003
Trichomonas vaginalis	aldo-keto reductase, putative	0.0029	0.5437	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0029	0.5437	0.5437
Loa Loa (eye worm)	ring canal kelch protein	0	0.0003	0.0005
Echinococcus multilocularis	aldo keto reductase	0.0029	0.5437	0.5437
Entamoeba histolytica	hypothetical protein	0.002	0.3781	0.5736
Trichomonas vaginalis	aldo/keto reductase, putative	0.0029	0.5437	1
Entamoeba histolytica	hypothetical protein	0.002	0.3781	0.5736
Loa Loa (eye worm)	oxidoreductase	0.0029	0.5437	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0029	0.5437	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0029	0.5437	1
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0029	0.5437	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0029	0.5437	0.5437
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0029	0.5437	0.5452
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0029	0.5437	1
Schistosoma mansoni	hypothetical protein	0	0.0003	0.0003
Onchocerca volvulus		0.0029	0.5437	1
Plasmodium falciparum	aldo-keto reductase, putative	0.0008	0.1555	0.5
Echinococcus granulosus	aldo keto reductase	0.0029	0.5437	0.5452
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0029	0.5437	0.5437
Brugia malayi	Kelch-like protein X	0	0.0003	0.0005
Schistosoma mansoni	aldo-keto reductase	0.0029	0.5437	0.5437
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0029	0.5437	0.5452
Echinococcus granulosus	ectoderm neural cortex protein 1	0	0.0003	0.0003
Trichomonas vaginalis	aldo/keto reductase, putative	0.0029	0.5437	1
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0029	0.5437	1
Echinococcus multilocularis	aldo keto reductase	0.0029	0.5437	0.5437
Giardia lamblia	Aldose reductase	0.0029	0.5437	0.5
Onchocerca volvulus		0.0029	0.5437	1
Giardia lamblia	Aldose reductase	0.0029	0.5437	0.5
Toxoplasma gondii	aldose reductase, putative	0.0029	0.5437	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0029	0.5437	1
Schistosoma mansoni	transcription factor LCR-F1	0.002	0.3781	0.3781
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0029	0.5437	1
Echinococcus granulosus	aldo keto reductase	0.0029	0.5437	0.5452

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: CHEMBL3040471

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 1798194