TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 291.347 | Formula: C18H17N3O
H donors: 2 H acceptors: 2 LogP: 4.22 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc2c(c1)c(N/N=C/c1ccccc1O)cc(n2)C
InChi: 1S/C18H17N3O/c1-12-7-8-16-15(9-12)17(10-13(2)20-16)21-19-11-14-5-3-4-6-18(14)22/h3-11,22H,1-2H3,(H,20,21)/b19-11+
InChiKey: RPSVPBIPGQQXHW-YBFXNURJSA-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

Species	Target name	Source	Bibliographic reference
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references
Homo sapiens	EYA transcriptional coactivator and phosphatase 2	Starlite/ChEMBL	No references
Homo sapiens	growth factor, augmenter of liver regeneration	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	Get druggable targets OG5_127535	All targets in OG5_127535
Leishmania major	hypothetical protein, conserved	Get druggable targets OG5_127535	All targets in OG5_127535
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	Get druggable targets OG5_127535	All targets in OG5_127535
Trypanosoma congolense	ERV/ALR sulfhydryl oxidase domain-containing protein	Get druggable targets OG5_127535	All targets in OG5_127535
Neospora caninum	hypothetical protein	Get druggable targets OG5_127535	All targets in OG5_127535
Echinococcus granulosus	FAD linked sulfhydryl oxidase ALR	Get druggable targets OG5_127535	All targets in OG5_127535
Schistosoma mansoni	eyes absent homolog	Get druggable targets OG5_129664	All targets in OG5_129664
Theileria parva	hypothetical protein, conserved	Get druggable targets OG5_127535	All targets in OG5_127535
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_129664	All targets in OG5_129664
Leishmania donovani	ERV/ALR sulfhydryl oxidase domain-containing protein	Get druggable targets OG5_127535	All targets in OG5_127535
Toxoplasma gondii	Erv1 / Alr family protein	Get druggable targets OG5_127535	All targets in OG5_127535
Plasmodium berghei	FAD-linked sulfhydryl oxidase ERV1, putative	Get druggable targets OG5_127535	All targets in OG5_127535
Plasmodium knowlesi	FAD-linked sulfhydryl oxidase ERV1, putative	Get druggable targets OG5_127535	All targets in OG5_127535
Trypanosoma brucei gambiense	hypothetical protein, conserved	Get druggable targets OG5_127535	All targets in OG5_127535
Babesia bovis	human hepatopoietin-like protein, putative	Get druggable targets OG5_127535	All targets in OG5_127535
Trypanosoma congolense	ERV/ALR sulfhydryl oxidase domain-containing protein	Get druggable targets OG5_127535	All targets in OG5_127535
Trypanosoma cruzi	ERV/ALR sulfhydryl oxidase domain-containing protein	Get druggable targets OG5_127535	All targets in OG5_127535
Schistosoma japonicum	FAD-linked sulfhydryl oxidase ALR, putative	Get druggable targets OG5_127535	All targets in OG5_127535
Brugia malayi	Augmenter of liver regeneration	Get druggable targets OG5_127535	All targets in OG5_127535
Plasmodium vivax	FAD-linked sulfhydryl oxidase ERV1, putative	Get druggable targets OG5_127535	All targets in OG5_127535
Toxoplasma gondii	Erv1 / Alr family protein	Get druggable targets OG5_127535	All targets in OG5_127535
Plasmodium yoelii	hypothetical protein	Get druggable targets OG5_127535	All targets in OG5_127535
Candida albicans	similar to S. cerevisiae ERV2 (YPR037C) endoplasmic reticulum flavin-linked sulfhydryl oxidase	Get druggable targets OG5_127535	All targets in OG5_127535
Schistosoma japonicum	ko:K01104 protein-tyrosine phosphatase [EC3.1.3.48], putative	Get druggable targets OG5_129664	All targets in OG5_129664
Leishmania infantum	hypothetical protein, conserved	Get druggable targets OG5_127535	All targets in OG5_127535
Plasmodium falciparum	FAD-linked sulfhydryl oxidase ERV1, putative	Get druggable targets OG5_127535	All targets in OG5_127535
Loa Loa (eye worm)	hepatopoietin HPO2	Get druggable targets OG5_127535	All targets in OG5_127535
Leishmania braziliensis	hypothetical protein, conserved	Get druggable targets OG5_127535	All targets in OG5_127535
Leishmania mexicana	hypothetical protein, conserved	Get druggable targets OG5_127535	All targets in OG5_127535
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_129664	All targets in OG5_129664
Trypanosoma brucei	ERV/ALR sulfhydryl oxidase domain-containing protein	Get druggable targets OG5_127535	All targets in OG5_127535
Brugia malayi	hypothetical protein	Get druggable targets OG5_129664	All targets in OG5_129664
Echinococcus multilocularis	FAD linked sulfhydryl oxidase ALR	Get druggable targets OG5_127535	All targets in OG5_127535
Candida albicans	hypothetical protein	Get druggable targets OG5_127535	All targets in OG5_127535
Candida albicans	similar to S. cerevisiae ERV2 (YPR037C) endoplasmic reticulum flavin-linked sulfhydryl oxidase	Get druggable targets OG5_127535	All targets in OG5_127535

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	COUP TF:Svp nuclear hormone receptor	0.0012	0.0208	0.064
Mycobacterium ulcerans	metal cation-transporting p-type ATPase F, CtpF	0.001	0	0.5
Giardia lamblia	Phospholipid-transporting ATPase IA, putative	0.001	0	0.5
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0012	0.0208	0.0208
Trichomonas vaginalis	cation-transporting ATPase, putative	0.001	0	0.5
Brugia malayi	Steroid receptor seven-up type 2	0.0012	0.0208	0.0208
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0012	0.0208	0.0208
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.0208	0.0208
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0012	0.0208	0.064
Giardia lamblia	Plasma membrane calcium-transporting ATPase 2	0.001	0	0.5
Trypanosoma brucei	ERV/ALR sulfhydryl oxidase domain-containing protein	0.0041	0.3245	1
Entamoeba histolytica	phospholipid-transporting P-type ATPase, putative	0.001	0	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0012	0.0208	0.0208
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0208	0.0208
Plasmodium vivax	FAD-linked sulfhydryl oxidase ERV1, putative	0.0041	0.3245	1
Mycobacterium ulcerans	cation transporter p-type ATPase D CtpD	0.001	0	0.5
Mycobacterium ulcerans	cation transporter p-type ATPase a CtpA	0.001	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0208	0.0208
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0208	0.0208
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0012	0.0208	0.0208
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0012	0.0208	0.064
Giardia lamblia	Copper-transporting P-type ATPase	0.001	0	0.5
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.0208	0.0208
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0012	0.0208	0.0208
Onchocerca volvulus		0.0012	0.0208	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.0012	0.0208	0.0208
Entamoeba histolytica	plasma membrane calcium-transporting ATPase 1, putative	0.001	0	0.5
Schistosoma mansoni	retinoic acid receptor RXR	0.0012	0.0208	0.0208
Mycobacterium leprae	PROBABLE CATION-TRANSPORTER ATPASE I CTPI	0.001	0	0.5
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.001	0	0.5
Trichomonas vaginalis	cation-transporting ATPase, putative	0.001	0	0.5
Trichomonas vaginalis	cation-transporting ATPase, putative	0.001	0	0.5
Toxoplasma gondii	Erv1 / Alr family protein	0.0041	0.3245	1
Entamoeba histolytica	Plasma membrane calcium-transporting ATPase, putative	0.001	0	0.5
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0012	0.0208	0.064
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.0208	0.0208
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.0208	0.0208
Onchocerca volvulus	Protein ultraspiracle homolog	0.0012	0.0208	1
Echinococcus multilocularis	FTZ F1 alpha	0.0012	0.0208	0.064
Entamoeba histolytica	cation-transporting P-typeATPase, putative	0.001	0	0.5
Chlamydia trachomatis	metal transport ATPase	0.001	0	0.5
Schistosoma mansoni	RAR-like nuclear receptor	0.0012	0.0208	0.0208
Entamoeba histolytica	Plasma membrane calcium-transporting ATPase, putative	0.001	0	0.5
Mycobacterium tuberculosis	Cation transporter P-type ATPase a CtpA	0.001	0	0.5
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0012	0.0208	1
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.001	0	0.5
Toxoplasma gondii	Erv1 / Alr family protein	0.0041	0.3245	1
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.001	0	0.5
Mycobacterium tuberculosis	Probable metal cation transporter ATPase P-type CtpE	0.001	0	0.5
Echinococcus granulosus	FTZ F1 alpha	0.0012	0.0208	0.064
Mycobacterium ulcerans	metal cation-transporting p-type ATPase CtpC	0.001	0	0.5
Echinococcus multilocularis	FAD linked sulfhydryl oxidase ALR	0.0041	0.3245	1
Entamoeba histolytica	Plasma membrane calcium-transporting ATPase, putative	0.001	0	0.5
Loa Loa (eye worm)	steroid hormone receptor	0.0012	0.0208	0.0208
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0012	0.0208	0.0208
Mycobacterium ulcerans	metal cation transporter ATPase p-type CtpE	0.001	0	0.5
Plasmodium falciparum	FAD-linked sulfhydryl oxidase ERV1, putative	0.0041	0.3245	1
Mycobacterium ulcerans	metal cation transporter p-type ATPase a	0.001	0	0.5
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0012	0.0208	0.0208
Entamoeba histolytica	calcium-transporting P-type ATPase, putative	0.001	0	0.5
Brugia malayi	nuclear hormone receptor	0.0012	0.0208	0.0208
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.0208	0.0208
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0012	0.0208	0.0208
Mycobacterium ulcerans	cation-transporter ATPase I CtpI	0.001	0	0.5
Brugia malayi	ecdysteroid receptor	0.0012	0.0208	0.0208
Brugia malayi	Augmenter of liver regeneration	0.0041	0.3245	0.3245
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0012	0.0208	0.064
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0012	0.0208	0.0208
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0012	0.0208	0.064
Mycobacterium tuberculosis	Probable metal cation transporter P-type ATPase CtpV	0.001	0	0.5
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0012	0.0208	0.064
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0208	0.064
Loa Loa (eye worm)	hypothetical protein	0.0106	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0012	0.0208	0.0208
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0208	0.064
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0012	0.0208	0.0208
Treponema pallidum	hypothetical protein	0.001	0	0.5
Echinococcus granulosus	FAD linked sulfhydryl oxidase ALR	0.0041	0.3245	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.0208	0.0208
Schistosoma mansoni	eyes absent homolog	0.0106	1	1
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	0.0041	0.3245	1
Leishmania major	hypothetical protein, conserved	0.0041	0.3245	1
Mycobacterium tuberculosis	Possible metal cation transporting P-type ATPase CtpH	0.001	0	0.5
Trypanosoma cruzi	ERV/ALR sulfhydryl oxidase domain-containing protein	0.0041	0.3245	1
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.001	0	0.5
Trichomonas vaginalis	ATPase, class I, type 8B, putative	0.001	0	0.5
Mycobacterium ulcerans	metal cation transporter p-type ATPase, CtpV	0.001	0	0.5
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0208	0.064
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0208	0.0208
Trichomonas vaginalis	cation-transporting ATPase, putative	0.001	0	0.5
Trichomonas vaginalis	cation-transporting ATPase fungi, putative	0.001	0	0.5
Trichomonas vaginalis	ATPase, class VI, type 11C, putative	0.001	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0208	0.0208
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0012	0.0208	0.0208
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0208	0.0208
Trichomonas vaginalis	phospholipid-transporting ATPase, putative	0.001	0	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0012	0.0208	0.0208
Echinococcus granulosus	ecdysone induced protein 78C	0.0012	0.0208	0.064
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	0.0041	0.3245	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0208	0.0208
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0012	0.0208	0.0208
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0012	0.0208	0.0208
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0012	0.0208	0.0208
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0012	0.0208	0.0208
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0012	0.0208	0.0208
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0208	0.0208
Onchocerca volvulus	Bile acid receptor homolog	0.0012	0.0208	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0208	0.064
Schistosoma mansoni	nuclear hormone receptor	0.0012	0.0208	0.0208
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0012	0.0208	0.064
Loa Loa (eye worm)	hypothetical protein	0.0106	1	1
Brugia malayi	steroid hormone receptor	0.0012	0.0208	0.0208
Loa Loa (eye worm)	hepatopoietin HPO2	0.0041	0.3245	0.3245
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.001	0	0.5
Treponema pallidum	cation-transporting ATPase, P-type	0.001	0	0.5
Brugia malayi	nuclear receptor NHR-88	0.0012	0.0208	0.0208
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0012	0.0208	0.0208
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.0208	0.0208
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.0208	0.0208
Entamoeba histolytica	phospholipid-transporting P-type ATPase, putative	0.001	0	0.5
Trichomonas vaginalis	cation-transporting ATPase, putative	0.001	0	0.5
Mycobacterium leprae	Probable metal cation-transporting P-type ATPase C CtpC	0.001	0	0.5
Brugia malayi	Nuclear hormone receptor-like 1	0.0012	0.0208	0.0208
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0012	0.0208	0.0208
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0012	0.0208	0.064
Mycobacterium leprae	PROBABLE CATION-TRANSPORTER P-TYPE ATPASE B CTPB	0.001	0	0.5
Mycobacterium ulcerans	cation-transporter p-type ATPase B CtpB	0.001	0	0.5
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0012	0.0208	0.0208
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0012	0.0208	0.064
Entamoeba histolytica	phospholipid-transporting P-type ATPase, putative	0.001	0	0.5
Entamoeba histolytica	plasma membrane calcium ion-transporting ATPase, putative	0.001	0	0.5
Schistosoma mansoni	coup transcription factor	0.0012	0.0208	0.0208
Mycobacterium tuberculosis	Probable cation transporter P-type ATPase D CtpD	0.001	0	0.5
Echinococcus multilocularis	ecdysone induced protein 78C	0.0012	0.0208	0.064

Activities

Activity type	Activity value	Assay description	Source	Reference
AC50 (binding)	= 4.03 uM	PUBCHEM_BIOASSAY: HTS-Luminescent assay for inhibitors of ALR by detection of hydrogen peroxide production Measured in Biochemical System Using Plate Reader - 2036-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488787]	ChEMBL.	No reference
Potency (functional)	= 5.6234 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 7.9433 um	PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.6891 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	19.9526 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the Phosphatase Activity of Eya2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488939]	ChEMBL.	No reference
Potency (functional)	25.1189 uM	PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855]	ChEMBL.	No reference
Potency (binding)	= 28.1838 um	PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]	ChEMBL.	No reference
Potency (functional)	44.6684 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL3199645

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 1878583