TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 600.668 | Formula: C38H28N6O2
H donors: 0 H acceptors: 6 LogP: 6.65 Rotable bonds: 10
Rule of 5 violations (Lipinski): 2
SMILES: O=C(c1ccccc1)c1ccc(cc1)Cn1nnc(c1)c1ccc(cc1)c1nnn(c1)Cc1ccc(cc1)C(=O)c1ccccc1
InChi: 1S/C38H28N6O2/c45-37(31-7-3-1-4-8-31)33-15-11-27(12-16-33)23-43-25-35(39-41-43)29-19-21-30(22-20-29)36-26-44(42-40-36)24-28-13-17-34(18-14-28)38(46)32-9-5-2-6-10-32/h1-22,25-26H,23-24H2
InChiKey: PZGRLZFKFARBNO-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
Schistosoma mansoni	protein kinase	0.0005	0.0004	0.0004
Schistosoma mansoni	tyrosine kinase	0.0005	0.0004	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0294	0.1183
Trichomonas vaginalis	helicase, putative	0.0007	0.0059	0.1897
Loa Loa (eye worm)	sema domain-containing protein	0.0041	0.0801	0.3253
Brugia malayi	Plexin repeat family protein	0.0097	0.2059	0.8386
Echinococcus multilocularis	dual specificity testis specific protein kinase	0.0006	0.0042	0.0038
Schistosoma mansoni	hypothetical protein	0.0017	0.0288	0.0288
Schistosoma mansoni	ephrin receptor	0.0005	0.0004	0.0004
Schistosoma mansoni	tyrosine kinase	0.0005	0.0004	0.0004
Echinococcus granulosus	activin receptor type	0.0006	0.0042	0.0038
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0801	0.3253
Schistosoma mansoni	tyrosine kinase	0.0005	0.0004	0.0004
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0059	0.1897
Schistosoma mansoni	hypothetical protein	0.0018	0.0294	0.0294
Giardia lamblia	Kinase	0.0005	0.0004	0.5
Giardia lamblia	Protein 21.1	0.0005	0.0004	0.5
Schistosoma mansoni	protein kinase	0.0005	0.0004	0.0004
Schistosoma mansoni	tyrosine kinase	0.0005	0.0004	0.0004
Echinococcus granulosus	exocyst complex component 2	0.0018	0.0294	0.029
Schistosoma mansoni	cpg binding protein	0.0034	0.0648	0.0648
Schistosoma mansoni	fibrocystin l	0.0018	0.0294	0.0294
Echinococcus multilocularis	plexin a4	0.0115	0.2454	0.2451
Entamoeba histolytica	protein kinase, putative	0.0213	0.4649	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.074	0.3004
Entamoeba histolytica	hypothetical protein	0.0018	0.0294	0.0624
Schistosoma mansoni	protein kinase	0.0006	0.0042	0.0042
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0055	0.1129	0.4593
Schistosoma mansoni	protein kinase	0.0006	0.0042	0.0042
Schistosoma mansoni	hypothetical protein	0.0017	0.0288	0.0288
Schistosoma mansoni	tyrosine kinase	0.0005	0.0004	0.0004
Echinococcus multilocularis	semaphorin 5B	0.0041	0.0801	0.0797
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0005	0.0004	0.0004
Schistosoma mansoni	src-type protein tyrosine kinase-related	0.0005	0.0004	0.0004
Schistosoma mansoni	protein kinase	0.0005	0.0004	0.0004
Trypanosoma brucei	protein kinase, putative	0.0006	0.0042	1
Entamoeba histolytica	protein kinase domain containing protein	0.0022	0.04	0.0852
Schistosoma mansoni	tyrosine kinase	0.0005	0.0004	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0097	0.2059	0.8386
Toxoplasma gondii	calcium dependent protein kinase CDPK8	0.0006	0.0042	0.031
Plasmodium vivax	tyrosine kinase-like protein, putative	0.0005	0.0004	0.5
Echinococcus multilocularis	exocyst complex component 2	0.0018	0.0294	0.029
Trichomonas vaginalis	conserved hypothetical protein	0.0018	0.0294	1
Schistosoma mansoni	protein kinase	0.0005	0.0004	0.0004
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.0018	0.0294	1
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1156	0.4702
Schistosoma mansoni	protein kinase	0.0006	0.0042	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0801	0.3253
Loa Loa (eye worm)	hypothetical protein	0.0055	0.1129	0.4593
Entamoeba histolytica	hypothetical protein	0.0018	0.0294	0.0624
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.0018	0.0294	1
Schistosoma mansoni	tyrosine kinase	0.0005	0.0004	0.0004
Loa Loa (eye worm)	plexin A	0.0115	0.2454	1
Schistosoma mansoni	protein kinase	0.0005	0.0004	0.0004
Schistosoma mansoni	tyrosine kinase	0.0005	0.0004	0.0004
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0008	0.0074	0.007
Schistosoma mansoni	protein tyrosine kinase	0.0005	0.0004	0.0004
Trichomonas vaginalis	conserved hypothetical protein	0.0018	0.0294	1
Schistosoma mansoni	tyrosine kinase	0.0005	0.0004	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0801	0.3253
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0055	0.1129	0.4593
Trypanosoma brucei	STE/STE11 serine/threonine-protein kinase, putative	0.0006	0.0042	1
Brugia malayi	IPT/TIG domain containing protein	0.0018	0.0294	0.1183
Schistosoma mansoni	tyrosine kinase	0.0005	0.0004	0.0004
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase I	0.0213	0.4647	0.4644
Loa Loa (eye worm)	sema domain-containing protein	0.0041	0.0801	0.3253
Schistosoma mansoni	tyrosine kinase	0.0005	0.0004	0.0004
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0017	0.0288	0.1158
Schistosoma mansoni	plexin	0.0056	0.1156	0.1156
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0006	0.0042	1
Schistosoma mansoni	tyrosine kinase	0.0005	0.0004	0.0004
Schistosoma mansoni	tyrosine kinase	0.0005	0.0004	0.0004
Schistosoma mansoni	tyrosine kinase	0.0005	0.0004	0.0004
Schistosoma mansoni	tyrosine kinase	0.0005	0.0004	0.0004
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0005	0.0004	0.0004
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0068	0.1403	0.1403
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0017	0.0288	0.1158
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.0118	0.0114
Schistosoma mansoni	hypothetical protein	0.0018	0.0294	0.0294
Echinococcus granulosus	GPCR family 2	0.0017	0.0288	0.0284
Schistosoma mansoni	plexin	0.0097	0.2059	0.2059
Schistosoma mansoni	cpg binding protein	0.0032	0.0608	0.0608
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0059	0.1897
Schistosoma mansoni	tyrosine kinase	0.0005	0.0004	0.0004
Plasmodium vivax	tyrosine kinase-like protein, putative	0.0005	0.0004	0.5
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0006	0.0042	1
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0008	0.0074	0.007
Plasmodium falciparum	protein kinase, putative	0.0006	0.0042	1
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0032	0.0608	0.2463
Schistosoma mansoni	hypothetical protein	0.0056	0.1156	0.1156
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0059	0.1897
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0288	0.1158
Loa Loa (eye worm)	histone methyltransferase	0.001	0.0118	0.0464
Brugia malayi	Sema domain containing protein	0.0041	0.0801	0.3253
Schistosoma mansoni	tyrosine kinase	0.0005	0.0004	0.0004
Echinococcus granulosus	serine:threonine protein kinase Chk2	0.0213	0.4649	0.4646
Echinococcus granulosus	calcium:calmodulin dependent protein kinase I	0.0213	0.4647	0.4644
Echinococcus granulosus	semaphorin 1A	0.0041	0.0801	0.0797
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0059	0.1897
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0059	0.1897
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0059	0.1897
Echinococcus granulosus	geminin	0.0188	0.4083	0.4081
Schistosoma mansoni	protein kinase	0.0005	0.0004	0.0004
Schistosoma mansoni	tyrosine kinase	0.0005	0.0004	0.0004
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0059	0.1897
Trichomonas vaginalis	conserved hypothetical protein	0.0018	0.0294	1
Echinococcus multilocularis	dnaJ subfamily B	0.0453	1	1
Schistosoma mansoni	tyrosine kinase	0.0005	0.0004	0.0004
Onchocerca volvulus		0.0041	0.0801	0.3879
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0055	0.1129	0.4593
Schistosoma mansoni	serine/threonine RGC	0.0005	0.0004	0.0004
Schistosoma mansoni	serine/threonine protein kinase	0.0005	0.0004	0.0004
Schistosoma mansoni	protein kinase	0.0005	0.0004	0.0004
Entamoeba histolytica	hypothetical protein	0.0018	0.0294	0.0624
Schistosoma mansoni	tyrosine kinase	0.0005	0.0004	0.0004
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0059	0.1897
Schistosoma mansoni	hypothetical protein	0.0017	0.0288	0.0288
Echinococcus multilocularis	GPCR, family 2	0.0017	0.0288	0.0284
Giardia lamblia	Kinase, NEK	0.0005	0.0004	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.0005	0.0004	0.0004
Entamoeba histolytica	tyrosin kinase, putative	0.0022	0.04	0.0852
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0017	0.0288	0.0284
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.0018	0.0294	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0801	0.3253
Echinococcus granulosus	dual specificity testis-specific protein kinase	0.0006	0.0042	0.0038
Echinococcus multilocularis	cpg binding protein	0.0034	0.0648	0.0644
Schistosoma mansoni	hypothetical protein	0.0188	0.4083	0.4083
Schistosoma mansoni	hypothetical protein	0.0041	0.0801	0.0801
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.0118	0.0114
Brugia malayi	DNA-binding protein LAG-1	0.0018	0.0294	0.1183
Echinococcus multilocularis	activin receptor type	0.0006	0.0042	0.0038
Brugia malayi	Probable exocyst complex component Sec5	0.0018	0.0294	0.1183
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0059	0.1897
Schistosoma mansoni	tyrosine kinase	0.0005	0.0004	0.0004
Schistosoma mansoni	tyrosine protein kinase fes (fps) (ptk group IV)	0.0005	0.0004	0.0004
Echinococcus multilocularis	serine:threonine protein kinase Chk2	0.0213	0.4649	0.4646
Brugia malayi	hypothetical protein	0.0041	0.0801	0.3253
Schistosoma mansoni	hypothetical protein	0.0188	0.4083	0.4083
Entamoeba histolytica	protein kinase domain containing protein	0.0006	0.0042	0.0083
Onchocerca volvulus		0.0032	0.0608	0.2938
Brugia malayi	Sema domain containing protein	0.0041	0.0801	0.3253
Echinococcus granulosus	semaphorin 5B	0.0041	0.0801	0.0797
Schistosoma mansoni	tyrosine kinase	0.0005	0.0004	0.0004
Schistosoma mansoni	tyrosine kinase	0.0005	0.0004	0.0004
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0059	0.1897
Schistosoma mansoni	tyrosine kinase	0.0005	0.0004	0.0004
Entamoeba histolytica	protein kinase, putative	0.0213	0.4649	1
Trichomonas vaginalis	conserved hypothetical protein	0.0018	0.0294	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0294	0.1183
Schistosoma mansoni	tyrosine kinase	0.0005	0.0004	0.0004
Schistosoma mansoni	tyrosine kinase	0.0005	0.0004	0.0004
Schistosoma mansoni	serine/threonine protein kinase	0.0005	0.0004	0.0004
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0017	0.0288	0.0284
Echinococcus multilocularis	hypothetical protein	0.0041	0.0801	0.0797
Brugia malayi	CXXC zinc finger family protein	0.0032	0.0608	0.2463
Entamoeba histolytica	cell surface protease gp63, putative	0.0018	0.0294	0.0624
Plasmodium vivax	protein kinase, putative	0.0005	0.0004	0.5
Schistosoma mansoni	tyrosine kinase	0.0005	0.0004	0.0004
Schistosoma mansoni	hypothetical protein	0.0005	0.0004	0.0004
Schistosoma mansoni	tyrosine protein kinase	0.0005	0.0004	0.0004
Schistosoma mansoni	tyrosine kinase	0.0005	0.0004	0.0004
Brugia malayi	Latrophilin receptor protein 2	0.0017	0.0288	0.1158
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0059	0.1897
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0059	0.1897
Schistosoma mansoni	hypothetical protein	0.0017	0.0288	0.0288
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0059	0.1897
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0008	0.0074	0.007
Leishmania major	protein kinase, putative	0.0006	0.0042	1
Echinococcus granulosus	plexin a4	0.0115	0.2454	0.2451
Schistosoma mansoni	hypothetical protein	0.0041	0.0801	0.0801
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0017	0.0288	0.0284
Schistosoma mansoni	serine/threonine protein kinase	0.0005	0.0004	0.0004
Onchocerca volvulus		0.0097	0.2059	1
Brugia malayi	F/Y-rich N-terminus family protein	0.001	0.0115	0.0453
Schistosoma mansoni	tyrosine protein kinase fes (fps) (ptk group IV)	0.0005	0.0004	0.0004
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0008	0.0074	0.007
Schistosoma mansoni	tyrosine kinase	0.0005	0.0004	0.0004
Schistosoma mansoni	cpg binding protein	0.0034	0.0648	0.0648
Echinococcus granulosus	cpg binding protein	0.0034	0.0648	0.0644
Schistosoma mansoni	ephrin receptor	0.0005	0.0004	0.0004
Brugia malayi	latrophilin 2 splice variant baaae	0.0038	0.074	0.3004
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0059	0.1897
Schistosoma mansoni	tyrosine kinase	0.0005	0.0004	0.0004
Brugia malayi	plexin A	0.0115	0.2454	1
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0006	0.0042	0.0038
Schistosoma mansoni	tyrosine-protein kinase fps85d	0.0005	0.0004	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0294	0.1183
Schistosoma mansoni	tyrosine-protein kinase fps85d	0.0005	0.0004	0.0004
Trichomonas vaginalis	conserved hypothetical protein	0.0018	0.0294	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0801	0.3253
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0294	0.1183
Schistosoma mansoni	serine/threonine protein kinase	0.0213	0.4649	0.4649
Giardia lamblia	Kinase, NEK	0.0005	0.0004	0.5
Echinococcus multilocularis	transcription factor collier	0.0018	0.0294	0.029
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0059	0.1897
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0008	0.0074	0.0074
Schistosoma mansoni	protein kinase	0.0005	0.0004	0.0004
Schistosoma mansoni	tyrosine kinase	0.0005	0.0004	0.0004
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0017	0.0288	0.0284
Trichomonas vaginalis	conserved hypothetical protein	0.0018	0.0294	1
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.0018	0.0294	1
Schistosoma mansoni	semaphorin 5-related	0.0041	0.0801	0.0801
Toxoplasma gondii	histone lysine methyltransferase SET1	0.006	0.1242	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0059	0.1897
Schistosoma mansoni	hypothetical protein	0.0453	1	1
Echinococcus granulosus	transcription factor collier	0.0018	0.0294	0.029
Brugia malayi	hypothetical protein	0.0041	0.0801	0.3253
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0059	0.1897
Echinococcus multilocularis	geminin	0.0188	0.4083	0.4081
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0801	0.3253
Schistosoma mansoni	hypothetical protein	0.0038	0.074	0.074
Trichomonas vaginalis	conserved hypothetical protein	0.0018	0.0294	1
Entamoeba histolytica	hypothetical protein	0.0018	0.0294	0.0624
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.0018	0.0294	1

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: CHEMBL2413084

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 918603