TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 309.362 | Formula: C18H19N3O2
H donors: 3 H acceptors: 2 LogP: 2.34 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CCc1cccc2c1c1ccc(cc1C2(C)O)C(=O)N=C(N)N
InChi: 1S/C18H19N3O2/c1-3-10-5-4-6-13-15(10)12-8-7-11(16(22)21-17(19)20)9-14(12)18(13,2)23/h4-9,23H,3H2,1-2H3,(H4,19,20,21,22)
InChiKey: PULGWVZPSUIVRZ-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	lysine specific histone demethylase 1A	0.0153	0.0582	0.0887
Toxoplasma gondii	transporter, cation channel family protein	0.0045	0.0081	0.1207
Loa Loa (eye worm)	hypothetical protein	0.0153	0.0582	0.0909
Brugia malayi	SWIRM domain containing protein	0.0153	0.0582	0.0909
Echinococcus multilocularis	nischarin	0.1431	0.6561	1
Trypanosoma cruzi	Voltage-dependent calcium channel subunit, putative	0.0045	0.0081	0.0987
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.0153	0.0582	0.2739
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0012	0.0019
Loa Loa (eye worm)	PX domain-containing protein	0.0034	0.0026	0.004
Echinococcus multilocularis	p2X purinoceptor 4	0.0089	0.0284	0.0433
Schistosoma mansoni	P2X receptor subunit	0.0089	0.0284	0.1337
Loa Loa (eye worm)	PX domain-containing protein	0.0034	0.0026	0.004
Echinococcus granulosus	voltage dependent calcium channel	0.0045	0.0081	0.0123
Onchocerca volvulus	Nischarin homolog	0.1398	0.6403	1
Onchocerca volvulus		0.0153	0.0582	0.0909
Loa Loa (eye worm)	hypothetical protein	0.0153	0.0582	0.0909
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.0026	1
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0483	0.2125	0.3239
Echinococcus multilocularis	conserved hypothetical protein	0.0833	0.3765	0.5738
Brugia malayi	PX domain containing protein	0.0034	0.0026	0.004
Entamoeba histolytica	hypothetical protein	0.0034	0.0026	0.5
Giardia lamblia	Hypothetical protein	0.0034	0.0026	0.5
Echinococcus multilocularis	sorting nexin 14	0.0034	0.0026	0.004
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0026	0.004
Schistosoma mansoni	P2X receptor subunit	0.0089	0.0284	0.1337
Echinococcus granulosus	nischarin	0.1431	0.6561	1
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.0026	1
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.2014	0.9287	1
Echinococcus granulosus	hypothetical protein	0.0861	0.3896	0.5938
Onchocerca volvulus		0.0034	0.0026	0.004
Brugia malayi	PX domain containing protein	0.0034	0.0026	0.004
Loa Loa (eye worm)	hypothetical protein	0.004	0.0057	0.0089
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0153	0.0582	0.0887
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.0026	1
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.0026	1
Leishmania major	calcium channel protein, putative,ion transporter, putative	0.0136	0.0506	0.8634
Schistosoma mansoni	amine oxidase	0.0153	0.0582	0.2739
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.0026	1
Brugia malayi	NNMT/PNMT/TEMT family protein	0.0708	0.318	0.4964
Loa Loa (eye worm)	hypothetical protein	0.0153	0.0582	0.0909
Giardia lamblia	Hypothetical protein	0.0034	0.0026	0.5
Entamoeba histolytica	hypothetical protein	0.0034	0.0026	0.5
Loa Loa (eye worm)	calcium channel	0.0045	0.0081	0.0126
Echinococcus multilocularis		0.0153	0.0582	0.0887
Toxoplasma gondii	histone lysine-specific demethylase	0.0153	0.0582	1
Echinococcus granulosus	voltage dependent calcium channel	0.0045	0.0081	0.0123
Loa Loa (eye worm)	PX domain-containing protein	0.0034	0.0026	0.004
Plasmodium vivax	protoporphyrinogen oxidase, putative	0.0153	0.0582	1
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0153	0.0582	1
Echinococcus granulosus	ribosomal protein S6 kinase delta 1	0.0034	0.0026	0.004
Plasmodium vivax	hypothetical protein, conserved	0.0153	0.0582	1
Schistosoma mansoni	voltage-gated potassium channel	0.0048	0.0091	0.0427
Leishmania major	UDP-galactopyranose mutase	0.0153	0.0582	1
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.2167	1	1
Loa Loa (eye worm)	TRAF4-associated factor 2	0.0034	0.0026	0.004
Echinococcus granulosus	p2X purinoceptor 4	0.0089	0.0284	0.0433
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.0153	0.0582	0.2739
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0026	0.004
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0012	0.0019
Mycobacterium leprae	PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO)	0.0153	0.0582	0.5
Brugia malayi	hypothetical protein	0.0153	0.0582	0.0909
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0153	0.0582	0.0887
Echinococcus multilocularis	voltage dependent calcium channel	0.0045	0.0081	0.0123
Echinococcus granulosus	p2X purinoceptor 4	0.0089	0.0284	0.0433
Schistosoma mansoni	P2X receptor subunit	0.0089	0.0284	0.1337
Echinococcus granulosus	p2X purinoceptor 4	0.0089	0.0284	0.0433
Schistosoma mansoni	P2X receptor subunit	0.0089	0.0284	0.1337
Schistosoma mansoni	voltage-gated potassium channel	0.0048	0.0091	0.0427
Echinococcus multilocularis	ribosomal protein S6 kinase delta 1	0.0034	0.0026	0.004
Echinococcus granulosus	sorting nexin 4	0.0034	0.0026	0.004
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.0026	1
Brugia malayi	hypothetical protein	0.1398	0.6406	1
Loa Loa (eye worm)	sorting nexin 12	0.0034	0.0026	0.004
Giardia lamblia	Hypothetical protein	0.0034	0.0026	0.5
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.0153	0.0582	1
Echinococcus multilocularis	Phox	0.0034	0.0026	0.004
Loa Loa (eye worm)	phosphatidylinositol 3-kinase catalytic subunit gamma	0.0034	0.0026	0.004
Entamoeba histolytica	PX domain protein	0.0034	0.0026	0.5
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0034	0.0026	0.004
Brugia malayi	PX domain containing protein	0.0034	0.0026	0.004
Brugia malayi	Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog	0.0045	0.0081	0.0126
Echinococcus multilocularis	voltage dependent L type calcium channel subunit	0.0045	0.0081	0.0123
Loa Loa (eye worm)	voltage-dependent calcium channel	0.0045	0.0081	0.0126
Brugia malayi	Sorting nexin 12	0.0034	0.0026	0.004
Echinococcus multilocularis	protoporphyrinogen oxidase	0.0153	0.0582	0.0887
Echinococcus multilocularis	voltage dependent calcium channel type d subunit	0.0045	0.0081	0.0123
Brugia malayi	PX domain containing protein	0.0034	0.0026	0.004
Schistosoma mansoni	amine oxidase	0.0153	0.0582	0.2739
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0034	0.0026	0.004
Echinococcus granulosus	sorting nexin	0.0034	0.0026	0.004
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0026	0.004
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0081	0.0126
Entamoeba histolytica	hypothetical protein	0.0034	0.0026	0.5
Schistosoma mansoni	sortingnexin-related	0.0034	0.0026	0.0122
Schistosoma mansoni	voltage-gated cation channel	0.0045	0.0081	0.038
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0153	0.0582	1
Echinococcus granulosus	sorting nexin 14	0.0034	0.0026	0.004
Echinococcus granulosus	voltage dependent L type calcium channel subunit\|voltage dependent calcium channel	0.0045	0.0081	0.0123
Plasmodium vivax	hypothetical protein, conserved	0.0153	0.0582	1
Echinococcus multilocularis	sorting nexin 6	0.0034	0.0026	0.004
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0483	0.2125	1
Giardia lamblia	hypothetical protein	0.0034	0.0026	0.5
Loa Loa (eye worm)	hypothetical protein	0.0153	0.0582	0.0909
Brugia malayi	PX domain containing protein	0.0034	0.0026	0.004
Schistosoma mansoni	high voltage-activated calcium channel Cav2A	0.0045	0.0081	0.038
Schistosoma mansoni	sorting nexin	0.0034	0.0026	0.0122
Brugia malayi	hypothetical protein	0.0105	0.0362	0.0565
Brugia malayi	amine oxidase, flavin-containing family protein	0.0153	0.0582	0.0909
Echinococcus multilocularis	voltage dependent calcium channel type d subunit	0.0045	0.0081	0.0123
Echinococcus multilocularis	sodium channel protein	0.0136	0.0506	0.0771
Brugia malayi	PXA domain containing protein	0.0034	0.0026	0.004
Echinococcus granulosus	sorting nexin 6	0.0034	0.0026	0.004
Echinococcus multilocularis	voltage dependent L type calcium channel subunit	0.0045	0.0081	0.0123
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.0026	1
Plasmodium vivax	lysine-specific histone demethylase 1, putative	0.0153	0.0582	1
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0034	0.0026	0.0122
Echinococcus granulosus	sodium channel protein	0.0136	0.0506	0.0771
Loa Loa (eye worm)	hypothetical protein	0.1398	0.6406	1
Brugia malayi	Variant SH3 domain containing protein	0.0034	0.0026	0.004
Brugia malayi	PX domain containing protein	0.0034	0.0026	0.004
Loa Loa (eye worm)	hypothetical protein	0.0275	0.1154	0.1801
Giardia lamblia	Hypothetical protein	0.0034	0.0026	0.5
Echinococcus granulosus	voltage dependent calcium channel type d subunit\|voltage dependent calcium channel alpha 1	0.0045	0.0081	0.0123
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.0026	1
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0045	0.0077	0.012
Toxoplasma gondii	WD domain, G-beta repeat-containing protein	0.0034	0.0026	0.0245
Schistosoma mansoni	sorting nexin	0.0034	0.0026	0.0122
Plasmodium falciparum	lysine-specific histone demethylase 1, putative	0.0153	0.0582	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0081	0.0126
Loa Loa (eye worm)	hypothetical protein	0.0153	0.0582	0.0909
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.0026	1
Schistosoma mansoni	high voltage-activated calcium channel Cav1	0.0045	0.0081	0.038
Echinococcus granulosus	sorting nexin 13	0.0034	0.0026	0.004
Echinococcus granulosus	voltage gated sodium channel Nav1 alpha subunit	0.0136	0.0506	0.0771
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0045	0.0077	0.0117
Brugia malayi	PXA domain containing protein	0.0034	0.0026	0.004
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0153	0.0582	1
Echinococcus granulosus	phospholipase D	0.0034	0.0026	0.004
Echinococcus multilocularis	sorting nexin	0.0034	0.0026	0.004
Schistosoma mansoni	sorting nexin	0.0034	0.0026	0.0122
Echinococcus multilocularis	sorting nexin	0.0034	0.0026	0.004
Loa Loa (eye worm)	PXA domain-containing protein	0.0034	0.0026	0.004
Toxoplasma gondii	hypothetical protein	0.0034	0.0026	0.0245
Loa Loa (eye worm)	NNMT/PNMT/TEMT family protein	0.0708	0.318	0.4964
Entamoeba histolytica	hypothetical protein	0.0034	0.0026	0.5
Echinococcus multilocularis		0.0034	0.0026	0.004
Onchocerca volvulus		0.0034	0.0026	0.004
Plasmodium falciparum	protoporphyrinogen oxidase	0.0153	0.0582	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0026	0.004
Echinococcus granulosus	Phox	0.0034	0.0026	0.004
Loa Loa (eye worm)	hypothetical protein	0.0708	0.318	0.4964
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0045	0.0077	0.0117
Echinococcus multilocularis	sorting nexin 2	0.0034	0.0026	0.004
Echinococcus multilocularis	p2X purinoceptor 4	0.0089	0.0284	0.0433
Echinococcus granulosus	voltage dependent calcium channel type d subunit\|voltage dependent calcium channel\|voltage dependent L type calcium channel subu	0.0045	0.0081	0.0123
Loa Loa (eye worm)	hypothetical protein	0.0708	0.318	0.4964
Echinococcus multilocularis	voltage dependent calcium channel	0.0045	0.0081	0.0123
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0045	0.0077	0.012
Schistosoma mansoni	sorting nexin	0.0034	0.0026	0.0122
Echinococcus multilocularis	sorting nexin 4	0.0034	0.0026	0.004
Loa Loa (eye worm)	hypothetical protein	0.0153	0.0582	0.0909
Echinococcus granulosus	biogenic amine 5HT receptor	0.0483	0.2125	0.3239
Brugia malayi	TRAF4-associated factor 2	0.0034	0.0026	0.004
Echinococcus granulosus	sorting nexin 2	0.0034	0.0026	0.004
Chlamydia trachomatis	protoporphyrinogen oxidase	0.0153	0.0582	0.5
Echinococcus multilocularis	p2X purinoceptor 4	0.0089	0.0284	0.0433
Giardia lamblia	Liver stage antigen-like protein	0.0034	0.0026	0.5
Trypanosoma brucei	Voltage-dependent calcium channel subunit, putative	0.0045	0.0081	1
Echinococcus granulosus	sorting nexin	0.0034	0.0026	0.004
Echinococcus multilocularis	phospholipase D	0.0034	0.0026	0.004

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: CHEMBL3545444

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 2072948