TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 333.384 | Formula: C20H19N3O2
H donors: 2 H acceptors: 1 LogP: 4.07 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(CNc2ncc3c(c2)c2ccccc2[nH]3)ccc1OC
InChi: 1S/C20H19N3O2/c1-24-18-8-7-13(9-19(18)25-2)11-21-20-10-15-14-5-3-4-6-16(14)23-17(15)12-22-20/h3-10,12,23H,11H2,1-2H3,(H,21,22)
InChiKey: HBLRZVSATGYPAV-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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
Schistosoma mansoni	hypothetical protein	0.0047	0.0472	0.0743
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0195	0.0939
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0011	0.0024	0.0115
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0089	0.0989	0.476
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0106	0.12	0.1306
Loa Loa (eye worm)	pyruvate kinase-PB	0.0025	0.0195	0.0939
Brugia malayi	steroid hormone receptor	0.0011	0.0024	0.0115
Mycobacterium ulcerans	pyruvate kinase	0.0035	0.0327	0.0001
Schistosoma mansoni	hypothetical protein	0.0507	0.6122	0.9633
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0011	0.0024	0.0024
Trichomonas vaginalis	pyruvate kinase, putative	0.0035	0.0327	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0011	0.0024	0.0115
Brugia malayi	N-terminal motif family protein	0.0178	0.2078	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0011	0.0024	0.0115
Mycobacterium ulcerans	hypothetical protein	0.0106	0.12	0.1306
Echinococcus multilocularis	FTZ F1 alpha	0.0011	0.0024	0.0024
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0011	0.0024	0.0115
Echinococcus granulosus	geminin	0.0507	0.6122	0.6122
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0089	0.0989	0.1557
Loa Loa (eye worm)	hypothetical protein	0.0093	0.104	0.5003
Plasmodium falciparum	pyruvate kinase	0.0035	0.0327	1
Onchocerca volvulus	Pyruvate kinase homolog	0.0035	0.0327	0.1571
Schistosoma mansoni	pyruvate kinase	0.0035	0.0327	0.0514
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0011	0.0024	0.0024
Onchocerca volvulus	Pyruvate kinase homolog	0.0035	0.0327	0.1571
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0047	0.0472	0.2273
Echinococcus multilocularis	pyruvate kinase	0.0035	0.0327	0.0327
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0327	0.1571
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0024	0.0115
Echinococcus granulosus	pyruvate kinase	0.0018	0.0115	0.0115
Schistosoma mansoni	hypothetical protein	0.0047	0.0472	0.0743
Schistosoma mansoni	coup transcription factor	0.0011	0.0024	0.0038
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0024	0.0115
Onchocerca volvulus	Bile acid receptor homolog	0.0011	0.0024	0.0115
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0011	0.0024	0.0038
Toxoplasma gondii	eukaryotic initiation factor-2B, gamma subunit, putative	0.0106	0.12	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0326	0.1566
Echinococcus multilocularis	geminin	0.0507	0.6122	0.6122
Trypanosoma brucei	pyruvate kinase 1	0.0035	0.0327	1
Brugia malayi	Steroid receptor seven-up type 2	0.0011	0.0024	0.0115
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0011	0.0024	0.0024
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0011	0.0024	0.0115
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0011	0.0024	0.0115
Schistosoma mansoni	pyruvate kinase	0.0035	0.0327	0.0514
Onchocerca volvulus		0.0035	0.0326	0.1566
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0011	0.0024	0.0024
Echinococcus multilocularis	pyruvate kinase	0.0035	0.0327	0.0327
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0326	0.1566
Echinococcus multilocularis	pyruvate kinase	0.0018	0.0115	0.0115
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0011	0.0024	0.0115
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0225	0.266	0.3485
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0326	0.0326
Brugia malayi	ecdysteroid receptor	0.0011	0.0024	0.0115
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0011	0.0024	0.0024
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0011	0.0024	0.0115
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0089	0.0989	0.0989
Loa Loa (eye worm)	hypothetical protein	0.0149	0.1725	0.8301
Giardia lamblia	Pyruvate kinase	0.0035	0.0327	1
Toxoplasma gondii	ABC1 family protein	0.0035	0.0326	0.2713
Echinococcus multilocularis	pyruvate kinase	0.0028	0.0235	0.0235
Mycobacterium tuberculosis	Probable pyruvate kinase PykA	0.0035	0.0327	0.0001
Onchocerca volvulus	Protein ultraspiracle homolog	0.0011	0.0024	0.0115
Echinococcus granulosus	ecdysone induced protein 78C	0.0011	0.0024	0.0024
Echinococcus multilocularis	GPCR, family 2	0.0047	0.0472	0.0472
Schistosoma mansoni	hypothetical protein	0.0047	0.0472	0.0743
Loa Loa (eye worm)	pyruvate kinase	0.0035	0.0327	0.1571
Plasmodium vivax	pyruvate kinase, putative	0.0035	0.0327	1
Brugia malayi	beta-lactamase family protein	0.0035	0.0326	0.1566
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0011	0.0024	0.0024
Schistosoma mansoni	hypothetical protein	0.0102	0.1145	0.1802
Echinococcus granulosus	pyruvate kinase	0.0035	0.0327	0.0327
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0326	0.1566
Echinococcus multilocularis	microtubule associated protein 2	0.0526	0.6355	0.6355
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0047	0.0472	0.0472
Brugia malayi	hypothetical protein	0.0093	0.104	0.5003
Mycobacterium ulcerans	hypothetical protein	0.0106	0.12	0.1306
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0011	0.0024	0.0115
Trichomonas vaginalis	pyruvate kinase, putative	0.0035	0.0327	1
Echinococcus granulosus	pyruvate kinase	0.0018	0.0115	0.0115
Schistosoma mansoni	microtubule-associated protein tau	0.0526	0.6355	1
Loa Loa (eye worm)	steroid hormone receptor	0.0011	0.0024	0.0115
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0011	0.0024	0.0024
Chlamydia trachomatis	pyruvate kinase	0.0035	0.0327	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0011	0.0024	0.0115
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0011	0.0024	0.0115
Echinococcus granulosus	microtubule associated protein 2	0.0526	0.6355	0.6355
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0011	0.0024	0.0024
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0326	0.9953
Mycobacterium leprae	Probable UDP-N-acetylglucosamine pyrophosphorylase GlmU	0.0581	0.7024	1
Brugia malayi	Pyruvate kinase, M2 isozyme	0.0035	0.0327	0.1571
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0011	0.0024	0.0115
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0011	0.0024	0.0024
Schistosoma mansoni	hypothetical protein	0.0507	0.6122	0.9633
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0011	0.0024	0.0115
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0047	0.0472	0.0472
Schistosoma mansoni	retinoic acid receptor RXR	0.0011	0.0024	0.0038
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0149	0.1725	0.8301
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0011	0.0024	0.0038
Schistosoma mansoni	hypothetical protein	0.0047	0.0472	0.0743
Echinococcus granulosus	pyruvate kinase	0.0018	0.0115	0.0115
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0011	0.0024	0.0115
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0024	0.0115
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0011	0.0024	0.0024
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0011	0.0024	0.0115
Brugia malayi	Pyruvate kinase, muscle isozyme	0.0035	0.0327	0.1571
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0024	0.0115
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0326	0.1566
Leishmania major	pyruvate kinase	0.0035	0.0327	1
Onchocerca volvulus	Huntingtin homolog	0.0093	0.104	0.5003
Onchocerca volvulus		0.0035	0.0326	0.1566
Leishmania major	pyruvate kinase	0.0035	0.0327	1
Loa Loa (eye worm)	hypothetical protein	0.0178	0.2078	1
Loa Loa (eye worm)	hypothetical protein	0.0093	0.104	0.5003
Brugia malayi	Latrophilin receptor protein 2	0.0047	0.0472	0.2273
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0011	0.0024	0.0115
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0011	0.0024	0.0115
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0024	0.0115
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0089	0.0989	0.1557
Entamoeba histolytica	pyruvate kinase, putative	0.0025	0.0195	0.5
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0047	0.0472	0.2273
Schistosoma mansoni	thyroid hormone receptor	0.0011	0.0024	0.0038
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0106	0.12	0.1306
Loa Loa (eye worm)	pyruvate kinase	0.0035	0.0327	0.1571
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0011	0.0024	0.0115
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0024	0.0115
Brugia malayi	latrophilin 2 splice variant baaae	0.0102	0.1145	0.551
Echinococcus multilocularis	ecdysone induced protein 78C	0.0011	0.0024	0.0024
Schistosoma mansoni	pyruvate kinase	0.0018	0.0115	0.0181
Loa Loa (eye worm)	pyruvate kinase	0.0035	0.0327	0.1571
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0035	0.0327	1
Onchocerca volvulus	Huntingtin homolog	0.0093	0.104	0.5003
Toxoplasma gondii	pyruvate kinase PyK1	0.0035	0.0327	0.2721
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0089	0.0989	0.0989
Mycobacterium leprae	Probable pyruvate kinase PykA	0.0035	0.0327	0.0001
Brugia malayi	beta-lactamase family protein	0.0035	0.0326	0.1566
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0011	0.0024	0.0038
Echinococcus granulosus	pyruvate kinase	0.0035	0.0327	0.0327
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0326	0.1566
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0011	0.0024	0.0024
Onchocerca volvulus	Pyruvate kinase homolog	0.0035	0.0327	0.1571
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0326	0.1566
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0089	0.0989	0.0989
Schistosoma mansoni	RAR-like nuclear receptor	0.0011	0.0024	0.0038
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0047	0.0472	0.0472
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0089	0.0989	0.476
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0011	0.0024	0.0024
Schistosoma mansoni	nuclear hormone receptor	0.0011	0.0024	0.0038
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0011	0.0024	0.0038
Trypanosoma brucei	pyruvate kinase 1, putative	0.0035	0.0327	1
Echinococcus granulosus	GPCR family 2	0.0047	0.0472	0.0472
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0035	0.0327	1
Echinococcus multilocularis	pyruvate kinase	0.0018	0.0115	0.0115
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0149	0.1725	0.8301
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0011	0.0024	0.0024
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0011	0.0024	0.0038
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0011	0.0024	0.0024
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0326	0.0326
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0011	0.0024	0.0115
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0326	0.1566
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0326	0.0512
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0472	0.2273
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0326	0.1566
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0011	0.0024	0.0038
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0089	0.0989	0.1557
Echinococcus granulosus	FTZ F1 alpha	0.0011	0.0024	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0102	0.1145	0.551
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0024	0.0115
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0011	0.0024	0.0115
Toxoplasma gondii	pyruvate kinase PyKII	0.0018	0.0115	0.096
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0011	0.0024	0.0038
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0178	0.2078	1
Wolbachia endosymbiont of Brugia malayi	N-acetylglucosamine-1-phosphate uridyltransferase	0.0581	0.7024	0.5
Mycobacterium ulcerans	molybdopterin-guanine dinucleotide biosynthesis protein A	0.0106	0.12	0.1306
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0326	0.1566
Brugia malayi	photoreceptor-specific nuclear receptor	0.0011	0.0024	0.0115
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0024	0.0115
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0823	1	1
Onchocerca volvulus		0.0035	0.0326	0.1566
Mycobacterium ulcerans	bifunctional N-acetylglucosamine-1-phosphate uridyltransferase/glucosamine-1-phosphate acetyltransferase	0.0581	0.7024	1
Onchocerca volvulus		0.0011	0.0024	0.0115
Mycobacterium tuberculosis	Probable UDP-N-acetylglucosamine pyrophosphorylase GlmU	0.0581	0.7024	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0011	0.0024	0.0115
Schistosoma mansoni	thyroid hormone receptor	0.0011	0.0024	0.0038
Brugia malayi	nuclear hormone receptor	0.0011	0.0024	0.0115
Brugia malayi	beta-lactamase	0.0035	0.0326	0.1566
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0149	0.1725	0.8301
Echinococcus multilocularis	pyruvate kinase	0.0018	0.0115	0.0115
Brugia malayi	Pyruvate kinase, alpha/beta domain containing protein	0.0011	0.0024	0.0114
Brugia malayi	Nuclear hormone receptor-like 1	0.0011	0.0024	0.0115
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0089	0.0989	0.0989
Brugia malayi	nuclear receptor NHR-88	0.0011	0.0024	0.0115
Treponema pallidum	licC protein (licC)	0.0106	0.12	0.5
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0047	0.0472	0.0472
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0326	0.0512

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: CHEMBL1808779

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 1024998