TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 372.377 | Formula: C21H16N4O3
H donors: 2 H acceptors: 5 LogP: 2.59 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Cc1cnccc1NC(=O)c1c(O)c2cccnc2n(c1=O)c1ccccc1
InChi: 1S/C21H16N4O3/c1-13-12-22-11-9-16(13)24-20(27)17-18(26)15-8-5-10-23-19(15)25(21(17)28)14-6-3-2-4-7-14/h2-12,26H,1H3,(H,22,24,27)
InChiKey: ZUQASRDHASANQE-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 granulosus	DNA topoisomerase 3 beta 1	0.0215	0.0609	0.1831
Trichomonas vaginalis	mismatch repair protein Mlh1C (mutL homolog)	0.0101	0.0227	0.0046
Plasmodium falciparum	DNA gyrase subunit A	0.0259	0.0757	0.0542
Trypanosoma brucei	heat shock protein, putative	0.0127	0.0315	0.0157
Echinococcus granulosus	microtubule associated protein 2	0.0678	0.2166	0.9104
Echinococcus multilocularis	Pyruvate dehydrogenase (lipoamide) kinase	0.0101	0.0227	0.0681
Trypanosoma cruzi	heat shock protein 90, putative	0.0127	0.0315	0.0175
Treponema pallidum	hypothetical protein	0.028	0.083	0.0617
Trichomonas vaginalis	heat shock protein, putative	0.0127	0.0315	0.0458
Trypanosoma brucei	heat shock protein, putative	0.0127	0.0315	0.0157
Entamoeba histolytica	DNA topoisomerase II, putative	0.0735	0.2358	1
Trypanosoma brucei	DNA topoisomerase II beta, putative	0.052	0.1637	0.2516
Schistosoma mansoni	pyruvate dehydrogenase	0.0101	0.0227	0.0961
Giardia lamblia	UDP-glucose 4-epimerase	0.0102	0.023	0.002
Brugia malayi	DNA topoisomerase III	0.0215	0.0609	0.2582
Loa Loa (eye worm)	DNA topoisomerase III	0.0215	0.0609	0.2582
Trypanosoma brucei	heat shock protein, putative	0.0127	0.0315	0.0157
Echinococcus multilocularis	heat shock protein	0.0127	0.0315	0.1066
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0052	0.0221
Trypanosoma brucei	heat shock protein, putative	0.0127	0.0315	0.0157
Toxoplasma gondii	heat shock protein 90, putative	0.0127	0.0315	0.0178
Mycobacterium ulcerans	DNA topoisomerase I	0.0215	0.0609	0.0391
Echinococcus granulosus	heat shock protein 90	0.0127	0.0315	0.0458
Echinococcus granulosus	neuropeptide receptor A26	0.0454	0.1415	0.5593
Echinococcus multilocularis	rho GTPase activating protein 20	0.0215	0.0609	0.2351
Trichomonas vaginalis	receptor histidine kinase, putative	0.0101	0.0227	0.0046
Trypanosoma cruzi	DNA topoisomerase IA, putative	0.0215	0.0609	0.0698
Plasmodium vivax	heat shock protein 86, putative	0.0127	0.0315	0.009
Leishmania major	heat shock protein 83-1	0.0127	0.0315	0.0157
Trichomonas vaginalis	prokaryotic DNA topoisomerase, putative	0.0215	0.0609	0.1831
Brugia malayi	UDP galactose 4'-epimerase	0.0098	0.0217	0.0919
Plasmodium vivax	nicotinate-nucleotide adenylyltransferase, putative	0.028	0.083	0.0617
Echinococcus granulosus	heat shock protein	0.0127	0.0315	0.0458
Leishmania major	heat shock protein 83-1	0.0127	0.0315	0.0157
Chlamydia trachomatis	DNA gyrase subunit B	0.1975	0.6526	0.6446
Loa Loa (eye worm)	TOPoisomerase family member	0.0735	0.2358	1
Leishmania major	heat shock protein 83-1	0.0127	0.0315	0.0157
Giardia lamblia	DNA topoisomerase III	0.0215	0.0609	0.2132
Mycobacterium tuberculosis	DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase)	0.0259	0.0757	0.0542
Mycobacterium ulcerans	bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein	0.028	0.083	0.0617
Trypanosoma brucei	heat shock protein, putative	0.0127	0.0315	0.0157
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0127	0.0315	0.0493
Trypanosoma cruzi	DNA topoisomerase II, putative	0.052	0.1637	0.2529
Toxoplasma gondii	heat shock protein HSP90	0.0127	0.0315	0.0178
Trypanosoma cruzi	DNA topoisomerase IA, putative	0.0215	0.0609	0.0698
Trypanosoma cruzi	DNA topoisomerase III, putative	0.0215	0.0609	0.0698
Trypanosoma brucei	Heat shock protein 83, putative	0.0127	0.0315	0.0157
Mycobacterium leprae	Probable DNA topoisomerase I TopA (omega-protein) (relaxing enzyme) (untwisting enzyme) (swivelase) (type I DNA topoisomerase) (	0.0215	0.0609	0.1219
Echinococcus granulosus	neuropeptide s receptor	0.0454	0.1415	0.5593
Trypanosoma cruzi	Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative	0.0101	0.0227	0.0017
Mycobacterium leprae	Probable DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase)	0.1033	0.3361	1
Entamoeba histolytica	heat shock protein 90, putative	0.0127	0.0315	0.0458
Trichomonas vaginalis	two component sensor and regulator histidine kinase bacteria, putative	0.0101	0.0227	0.0046
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0052	0.0221
Plasmodium falciparum	endoplasmin, putative	0.0114	0.0272	0.0046
Leishmania major	heat shock protein 83-1	0.0127	0.0315	0.0157
Trypanosoma cruzi	mitochondrial DNA topoisomerase II, putative	0.1768	0.5832	1
Schistosoma mansoni	endoplasmin	0.0127	0.0315	0.1335
Trypanosoma cruzi	Heat shock protein 83, putative	0.0127	0.0315	0.0175
Schistosoma mansoni	lozenge	0.0055	0.0071	0.0301
Leishmania major	heat shock protein 83-1	0.0127	0.0315	0.0157
Echinococcus granulosus	DNA topoisomerase 3 alpha	0.0215	0.0609	0.1831
Echinococcus multilocularis	Pyruvate dehydrogenase (lipoamide) kinase	0.0101	0.0227	0.0681
Plasmodium vivax	endoplasmin, putative	0.0127	0.0315	0.009
Plasmodium vivax	DNA topoisomerase II, putative	0.0735	0.2358	0.2181
Plasmodium falciparum	nicotinamide/nicotinic acid mononucleotide adenylyltransferase	0.028	0.083	0.0617
Leishmania major	DNA topoisomerase 1A	0.0215	0.0609	0.0682
Loa Loa (eye worm)	endoplasmin	0.0127	0.0315	0.1335
Loa Loa (eye worm)	hypothetical protein	0.0494	0.1547	0.6558
Entamoeba histolytica	heat shock protein 90, putative	0.0127	0.0315	0.0458
Leishmania major	heat shock protein 83-1	0.0127	0.0315	0.0157
Trypanosoma brucei	heat shock protein, putative	0.0127	0.0315	0.0157
Echinococcus multilocularis	UDP glucose 4 epimerase	0.0098	0.0217	0.0638
Leishmania major	heat shock protein 83-1	0.0127	0.0315	0.0157
Trypanosoma cruzi	heat shock protein 85, putative	0.0127	0.0315	0.0175
Toxoplasma gondii	DNA gyrase/topoisomerase IV, A subunit domain-containing protein	0.0259	0.0757	0.0977
Trichomonas vaginalis	sensory transduction histidine kinase, putative	0.0101	0.0227	0.0046
Schistosoma mansoni	UDP-glucose 4-epimerase	0.0098	0.0217	0.0919
Schistosoma mansoni	endoplasmin	0.0127	0.0315	0.1335
Schistosoma mansoni	prokaryotic DNA topoisomerase	0.0215	0.0609	0.2582
Leishmania major	heat shock protein 83-1	0.0127	0.0315	0.0157
Trypanosoma brucei	DNA topoisomerase IA, putative	0.0215	0.0609	0.0682
Echinococcus granulosus	DNA topoisomerase 2 alpha	0.0735	0.2358	1
Trypanosoma brucei	DNA topoisomerase III, putative	0.0215	0.0609	0.0682
Brugia malayi	Probable DNA topoisomerase II	0.0735	0.2358	1
Giardia lamblia	DNA topoisomerase II	0.0634	0.2019	1
Trypanosoma brucei	heat shock protein 90, putative	0.0127	0.0315	0.0157
Treponema pallidum	DNA gyrase, subunit A (gyrA)	0.0259	0.0757	0.0542
Leishmania major	DNA topoisomerase III, putative	0.0215	0.0609	0.0682
Plasmodium falciparum	DNA topoisomerase 3, putative	0.0215	0.0609	0.0391
Toxoplasma gondii	ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein	0.1741	0.5742	1
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0227	0.0961
Trypanosoma brucei	DNA topoisomerase III, putative	0.0215	0.0609	0.0682
Leishmania major	heat shock protein 83-1	0.0127	0.0315	0.0157
Mycobacterium leprae	Probable DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase)	0.0123	0.0302	0.024
Wolbachia endosymbiont of Brugia malayi	DNA gyrase, topoisomerase II, B subunit, GyrB	0.3008	1	1
Echinococcus granulosus	Pyruvate dehydrogenase lipoamide kinase	0.0101	0.0227	0.0046
Chlamydia trachomatis	DNA topoisomerase I	0.0215	0.0609	0.0391
Trypanosoma brucei	DNA topoisomerase ii	0.1768	0.5832	1
Treponema pallidum	DNA gyrase, subunit B (gyrB)	0.3008	1	1
Trichomonas vaginalis	DNA topoisomerase II, putative	0.0735	0.2358	1
Brugia malayi	kinase, mitochondrial precursor	0.0101	0.0227	0.0961
Trypanosoma cruzi	heat shock protein 85, putative	0.0127	0.0315	0.0175
Trypanosoma cruzi	mitochondrial DNA topoisomerase II, putative	0.1768	0.5832	1
Trypanosoma brucei	heat shock protein, putative	0.0127	0.0315	0.0157
Leishmania major	heat shock protein 83-1	0.0127	0.0315	0.0157
Leishmania major	heat shock protein 83-1	0.0127	0.0315	0.0157
Treponema pallidum	DNA topoisomerase I (topA)	0.0215	0.0609	0.0391
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0052	0.0221
Trypanosoma cruzi	DNA topoisomerase III, putative	0.0215	0.0609	0.0698
Plasmodium vivax	DNA gyrase subunit B, putative	0.3008	1	1
Loa Loa (eye worm)	hypothetical protein	0.0435	0.135	0.5725
Trypanosoma brucei	DNA topoisomerase II alpha, putative	0.052	0.1637	0.2516
Loa Loa (eye worm)	hypothetical protein	0.0435	0.135	0.5725
Mycobacterium ulcerans	DNA gyrase subunit B	0.3008	1	1
Onchocerca volvulus	DNA topoisomerase 2 homolog	0.0735	0.2358	1
Trypanosoma cruzi	DNA topoisomerase III, putative	0.0215	0.0609	0.0698
Leishmania major	DNA topoisomerase ii	0.052	0.1637	0.2516
Trichomonas vaginalis	sensor histidine kinase, putative	0.0101	0.0227	0.0046
Echinococcus multilocularis	microtubule associated protein 2	0.0678	0.2166	0.9161
Leishmania major	DNA topoisomerase III, putative	0.0215	0.0609	0.0682
Mycobacterium ulcerans	DNA gyrase subunit A	0.0259	0.0757	0.0542
Trypanosoma brucei	UDP-galactose 4-epimerase	0.0102	0.023	0.0007
Mycobacterium tuberculosis	Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic	0.028	0.083	0.0617
Loa Loa (eye worm)	DNA topoisomerase III beta-1	0.0215	0.0609	0.2582
Trypanosoma cruzi	heat shock protein 85, putative	0.0127	0.0315	0.0175
Wolbachia endosymbiont of Brugia malayi	topoisomerase IA, TopA	0.0215	0.0609	0.0391
Trichomonas vaginalis	endoplasmin, putative	0.0114	0.0272	0.0258
Echinococcus multilocularis	DNA topoisomerase 2 alpha	0.0735	0.2358	1
Toxoplasma gondii	DNA topoisomerase 2, putative	0.0735	0.2358	0.3876
Toxoplasma gondii	ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein	0.0101	0.0227	0.0018
Leishmania major	mitochondrial DNA topoisomerase II	0.1768	0.5832	1
Plasmodium falciparum	DNA topoisomerase 2	0.0735	0.2358	0.2181
Trypanosoma brucei	heat shock protein 90, putative	0.0127	0.0315	0.0157
Toxoplasma gondii	DNA topoisomerase family protein	0.0215	0.0609	0.0709
Brugia malayi	DNA topoisomerase II, alpha isozyme	0.0735	0.2358	1
Mycobacterium leprae	PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC	0.028	0.083	0.1924
Trypanosoma cruzi	developmentally regulated phosphoprotein, putative	0.0101	0.0227	0.0017
Trichomonas vaginalis	sensory transduction histidine kinase bacterial, putative	0.0101	0.0227	0.0046
Loa Loa (eye worm)	runx1	0.0055	0.0071	0.0301
Trichomonas vaginalis	receptor histidine kinase, putative	0.0101	0.0227	0.0046
Leishmania major	heat shock protein 83-1	0.0127	0.0315	0.0157
Loa Loa (eye worm)	heat shock protein 90	0.0127	0.0315	0.1335
Loa Loa (eye worm)	UDP galactose 4'-epimerase	0.0098	0.0217	0.0919
Trypanosoma brucei	heat shock protein, putative	0.0127	0.0315	0.0157
Trichomonas vaginalis	heat shock protein, putative	0.0114	0.0272	0.0258
Mycobacterium tuberculosis	DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase)	0.3008	1	1
Brugia malayi	Endoplasmin precursor	0.0127	0.0315	0.1335
Plasmodium falciparum	heat shock protein 90	0.0127	0.0315	0.009
Wolbachia endosymbiont of Brugia malayi	DNA gyrase subunit A	0.0259	0.0757	0.0542
Chlamydia trachomatis	DNA gyrase subunit A	0.0259	0.0757	0.0542
Entamoeba histolytica	DNA topoisomerase III, putative	0.0215	0.0609	0.1831
Trichomonas vaginalis	prokaryotic DNA topoisomerase, putative	0.0215	0.0609	0.1831
Leishmania major	heat shock protein 83-1	0.0127	0.0315	0.0157
Toxoplasma gondii	ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein	0.0101	0.0227	0.0018
Brugia malayi	hypothetical protein	0.0435	0.135	0.5725
Brugia malayi	heat shock protein 90	0.0127	0.0315	0.1335
Onchocerca volvulus	DNA topoisomerase 2 homolog	0.0735	0.2358	1
Giardia lamblia	DNA topoisomerase III	0.0215	0.0609	0.2132
Brugia malayi	DNA gyrase/topoisomerase IV, A subunit family protein	0.0735	0.2358	1
Onchocerca volvulus		0.0435	0.135	0.4238
Entamoeba histolytica	DNA topoisomerase III, putative	0.0215	0.0609	0.1831
Schistosoma mansoni	DNA topoisomerase II	0.0735	0.2358	1
Onchocerca volvulus	Putative DNA topoisomerase 2, mitochondrial	0.0735	0.2358	1
Schistosoma mansoni	heat shock protein	0.0127	0.0315	0.1335
Echinococcus multilocularis	neuropeptide s receptor	0.0454	0.1415	0.5874
Loa Loa (eye worm)	hypothetical protein	0.0494	0.1547	0.6558
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.0215	0.0609	0.0709
Trypanosoma cruzi	heat shock protein 90, putative	0.0114	0.0269	0.0094
Plasmodium falciparum	DNA gyrase subunit B	0.3008	1	1
Plasmodium vivax	DNA gyrase subunit A, putative	0.0259	0.0757	0.0542
Brugia malayi	DNA topoisomerase III beta-1	0.0215	0.0609	0.2582
Schistosoma mansoni	microtubule-associated protein tau	0.0678	0.2166	0.9186
Leishmania major	heat shock protein 83-1	0.0127	0.0315	0.0157
Trichomonas vaginalis	sensory transduction histidine kinase bacterial, putative	0.0101	0.0227	0.0046
Echinococcus multilocularis	heat shock protein 90	0.0127	0.0315	0.1066
Schistosoma mansoni	prokaryotic DNA topoisomerase	0.0215	0.0609	0.2582
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0052	0.0221
Brugia malayi	GRF zinc finger family protein	0.0215	0.0609	0.2582
Echinococcus multilocularis	neuropeptide receptor A26	0.0454	0.1415	0.5874
Schistosoma mansoni	heat shock protein	0.0127	0.0315	0.1335
Leishmania major	heat shock protein 83-1	0.0127	0.0315	0.0157
Leishmania major	udp-glc 4-epimerase, putative	0.0102	0.023	0.0007
Plasmodium vivax	DNA topoisomerase 3, putative	0.0215	0.0609	0.0391
Echinococcus multilocularis	DNA topoisomerase 3 beta 1	0.0215	0.0609	0.2351
Trypanosoma cruzi	DNA topoisomerase II, putative	0.052	0.1637	0.2529
Leishmania major	heat shock protein 83-1	0.0127	0.0315	0.0157
Leishmania major	heat shock protein 83-1	0.0127	0.0315	0.0157

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	= 8.8 %	Inhibition of carrageenan-induced rat's paw edema (CPE) after peroral administration of 100 mg/kg dose.	ChEMBL.	1552506
Inhibition (functional)	= 26.9 %	Inhibition of Zymosan-induced rat's paw edema(ZPE) after peroral administration of 100 mg/kg dose.	ChEMBL.	1552506
Inhibition (functional)	= 65.9 %	Compound was tested for the inhibition of rat reversed passive Arthus pleurisy after peroral administration of 100 mg/kg dose at 0.28 mL of exudate volume with 0.82 mL of control (injected intrapleurally)	ChEMBL.	1552506
Inhibition (functional)	= 83.9 %	Compound was tested for the inhibition of rat reversed passive Arthus pleurisy after peroral administration of 100 mg/kg dose at 1.1910e6 no of cells with 7.410e6 cells of control	ChEMBL.	1552506
Swelling (functional)	= 53.3 %	Antiinflammatory activity of the compound on Zymosan-induced rat's paw edema(ZPE) after peroral administration of 100 mg/kg dose with control swelling of 72.9%	ChEMBL.	1552506
Swelling (functional)	= 64.6 %	Antiinflammatory activity of the compound on Carrageenan rat's paw edema(CPE) after peroral administration of 100 mg/kg dose with control swelling of 71.9%	ChEMBL.	1552506

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: CHEMBL274042

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 14244