TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 277.321 | Formula: C17H15N3O
H donors: 0 H acceptors: 1 LogP: 2.82 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: C1C=NN(C1)Cc1coc(n1)c1cccc2c1cccc2
InChi: 1S/C17H15N3O/c1-2-7-15-13(5-1)6-3-8-16(15)17-19-14(12-21-17)11-20-10-4-9-18-20/h1-3,5-9,12H,4,10-11H2
InChiKey: SRSXLSBJOZBOGC-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
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.2042	0.2042
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0011	0.0632	0.0632
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0022	0.2042	0.1505
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0011	0.0632	0.0632
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.008	1	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0022	0.2042	0.2042
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.2042	0.2042
Brugia malayi	photoreceptor-specific nuclear receptor	0.0011	0.0632	0.0632
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.2042	0.2042
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.008	1	1
Echinococcus multilocularis	ubiquitin specific protease 41	0.008	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.2042	0.2042
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0022	0.2042	0.1505
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0011	0.0632	0.0632
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0039	0.432	0.2863
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0011	0.0632	0.0632
Echinococcus multilocularis	dna polymerase kappa	0.0022	0.2042	0.1505
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0011	0.0632	0.0632
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0011	0.0632	0.0632
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0034	0.3771	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0011	0.0632	0.0632
Mycobacterium ulcerans	DNA polymerase IV	0.0022	0.2042	0.4727
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.2042	0.2042
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.008	1	1
Brugia malayi	steroid hormone receptor	0.0011	0.0632	0.0632
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.008	1	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.0011	0.0632	0.5
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.432	0.432
Loa Loa (eye worm)	hypothetical protein	0.0022	0.2042	0.2042
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.432	0.432
Schistosoma mansoni	DNA polymerase eta	0.0022	0.2042	0.2042
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0011	0.0632	0.0632
Loa Loa (eye worm)	steroid hormone receptor	0.0011	0.0632	0.0632
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.2042	0.2042
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0011	0.0632	0.0632
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.008	1	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0011	0.0632	0.0632
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0011	0.0632	0.0632
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.008	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0011	0.0632	0.0632
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0011	0.0632	0.0632
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0039	0.432	0.2863
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0011	0.0632	0.0632
Brugia malayi	ecdysteroid receptor	0.0011	0.0632	0.0632
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.2042	0.2042
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0011	0.0632	0.0632
Trypanosoma brucei	DNA polymerase kappa, putative	0.0015	0.1123	0.1123
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.2042	0.2042
Schistosoma mansoni	coup transcription factor	0.0011	0.0632	0.0632
Trichomonas vaginalis	conserved hypothetical protein	0.008	1	1
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.008	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0015	0.1123	0.1123
Entamoeba histolytica	hypothetical protein	0.0038	0.4184	0.2692
Schistosoma mansoni	inositol monophosphatase	0.0039	0.432	0.432
Trichomonas vaginalis	inositol monophosphatase, putative	0.0039	0.432	0.2863
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.008	1	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0632	0.0632
Brugia malayi	hypothetical protein	0.0038	0.4184	0.4184
Echinococcus granulosus	dna polymerase eta	0.0022	0.2042	0.1505
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0011	0.0632	0.0632
Brugia malayi	Steroid receptor seven-up type 2	0.0011	0.0632	0.0632
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0011	0.0632	0.0632
Echinococcus multilocularis	inositol monophosphatase 1	0.0039	0.432	0.3937
Schistosoma mansoni	thyroid hormone receptor	0.0011	0.0632	0.0632
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0039	0.432	0.2863
Leishmania major	DNA polymerase eta, putative	0.0022	0.2042	0.2042
Plasmodium falciparum	DNA repair protein REV1, putative	0.0007	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0632	0.0632
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0632	0.0632
Loa Loa (eye worm)	hypothetical protein	0.008	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.2042	0.2042
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.432	0.432
Brugia malayi	ImpB/MucB/SamB family protein	0.0022	0.2042	0.2042
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0011	0.0632	0.0632
Brugia malayi	Inositol-1	0.0039	0.432	0.432
Entamoeba histolytica	hypothetical protein	0.0038	0.4184	0.2692
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0022	0.2042	0.2042
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.008	1	1
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.008	1	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.2042	0.2042
Leishmania major	DNA polymerase kappa, putative	0.0022	0.2042	0.2042
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0022	0.2042	0.2042
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0034	0.3771	0.5
Echinococcus granulosus	dna polymerase kappa	0.0022	0.2042	0.1505
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.2042	0.2042
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.2042	0.2042
Schistosoma mansoni	thyroid hormone receptor	0.0011	0.0632	0.0632
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0632	0.0632
Echinococcus granulosus	ubiquitin specific protease 41	0.008	1	1
Schistosoma mansoni	hypothetical protein	0.0038	0.4184	0.4184
Onchocerca volvulus		0.0011	0.0632	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.2042	0.2042
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.2042	0.2042
Onchocerca volvulus	Bile acid receptor homolog	0.0011	0.0632	0.5
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0039	0.432	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0015	0.1123	0.1123
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0022	0.2042	0.2042
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.2042	0.2042
Echinococcus granulosus	inositol monophosphatase 1	0.0039	0.432	0.3937
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0011	0.0632	0.0632
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0011	0.0632	0.0632
Entamoeba histolytica	hypothetical protein	0.0038	0.4184	0.2692
Mycobacterium ulcerans	DNA polymerase IV	0.0022	0.2042	0.4727
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0011	0.0632	0.0632
Trypanosoma brucei	DNA polymerase eta, putative	0.0022	0.2042	0.2042
Schistosoma mansoni	retinoic acid receptor RXR	0.0011	0.0632	0.0632
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.008	1	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0011	0.0632	0.0632
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0022	0.2042	0.2042
Brugia malayi	Nuclear hormone receptor-like 1	0.0011	0.0632	0.0632
Trypanosoma brucei	unspecified product	0.0015	0.1123	0.1123
Schistosoma mansoni	nuclear hormone receptor	0.0011	0.0632	0.0632
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.008	1	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0632	0.0632
Entamoeba histolytica	hypothetical protein	0.0038	0.4184	0.2692
Brugia malayi	nuclear receptor NHR-88	0.0011	0.0632	0.0632
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0038	0.4184	0.3792
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0011	0.0632	0.0632
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0632	0.0632
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0011	0.0632	0.5
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0011	0.0632	0.0632
Schistosoma mansoni	transcription factor LCR-F1	0.0038	0.4184	0.4184
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0011	0.0632	0.0632
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0011	0.0632	0.0632
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.008	1	1
Plasmodium vivax	DNA repair protein REV1, putative	0.0007	0	0.5
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.432	0.432
Trypanosoma cruzi	DNA polymerase eta, putative	0.0022	0.2042	0.2042
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0011	0.0632	0.0632
Echinococcus multilocularis	dna polymerase eta	0.0022	0.2042	0.1505
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.2042	0.2042
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0039	0.432	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0632	0.0632
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0632	0.0632
Giardia lamblia	DINP protein human, muc B family	0.0022	0.2042	0.2042
Loa Loa (eye worm)	inositol-1	0.0039	0.432	0.432
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0011	0.0632	0.0632
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.008	1	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0038	0.4184	0.3792
Trypanosoma brucei	unspecified product	0.0015	0.1123	0.1123
Trypanosoma brucei	unspecified product	0.0022	0.2042	0.2042
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0039	0.432	0.5
Schistosoma mansoni	inositol monophosphatase	0.0039	0.432	0.432
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.2042	0.2042
Brugia malayi	nuclear hormone receptor	0.0011	0.0632	0.0632

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	= 15 %	DNDI: Inhibition of Human African Trypanosomiasis, SBRI 427, in vitro at 2 ug.mL-1	ChEMBL.	No reference

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: CHEMBL1860762

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 1049215