TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 481.547 | Formula: C31H23N5O
H donors: 0 H acceptors: 2 LogP: 5.91 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: O=c1cc(nc2n1c(nn2c1ccccc1)c1ccc2c(n1)c1ccccc1CCC2)c1ccccc1
InChi: 1S/C31H23N5O/c37-28-20-27(22-11-3-1-4-12-22)33-31-35(28)30(34-36(31)24-15-5-2-6-16-24)26-19-18-23-14-9-13-21-10-7-8-17-25(21)29(23)32-26/h1-8,10-12,15-20H,9,13-14H2
InChiKey: MUKAPJFWOUTBPG-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	tar DNA-binding protein	0.0069	0.207	0.3328
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0052	0.1436	0.2309
Schistosoma mansoni	transcription factor LCR-F1	0.0041	0.1043	0.1676
Echinococcus granulosus	GPCR family 2	0.0035	0.0845	0.1359
Echinococcus multilocularis	GPCR, family 2	0.0035	0.0845	0.1359
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.037	1
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0022	0.037	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.207	0.3328
Echinococcus multilocularis	dna polymerase kappa	0.0022	0.037	0.0596
Brugia malayi	latrophilin 2 splice variant baaae	0.0076	0.2299	0.2299
Trichomonas vaginalis	glucosylceramidase, putative	0.0191	0.6421	0.6284
Loa Loa (eye worm)	hypothetical protein	0.0111	0.3551	0.3551
Brugia malayi	RNA binding protein	0.0069	0.207	0.207
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.1436	0.2309
Schistosoma mansoni	hypothetical protein	0.0185	0.6219	1
Brugia malayi	RNA recognition motif domain containing protein	0.0069	0.207	0.207
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.037	1
Schistosoma mansoni	hypothetical protein	0.0035	0.0845	0.1359
Mycobacterium ulcerans	DNA polymerase IV	0.0022	0.037	0.5
Schistosoma mansoni	hypothetical protein	0.0035	0.0845	0.1359
Trichomonas vaginalis	glucosylceramidase, putative	0.0191	0.6421	0.6284
Trichomonas vaginalis	glucosylceramidase, putative	0.0191	0.6421	0.6284
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0052	0.1436	0.2309
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0035	0.0845	0.1359
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0022	0.037	0.0596
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.037	1
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0022	0.037	0.037
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0035	0.0845	0.1359
Echinococcus multilocularis	geminin	0.0185	0.6219	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0131	0.4261	0.4261
Schistosoma mansoni	hypothetical protein	0.0076	0.2299	0.3696
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.037	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0052	0.1436	0.2309
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.037	0.5
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0041	0.1043	0.1676
Onchocerca volvulus	Glucosylceramidase homolog	0.0191	0.6421	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0022	0.037	0.5
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0022	0.037	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.037	1
Entamoeba histolytica	hypothetical protein	0.0041	0.1043	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0041	0.1043	0.1676
Echinococcus granulosus	geminin	0.0185	0.6219	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0035	0.0845	0.1359
Trichomonas vaginalis	glucosylceramidase, putative	0.0201	0.6789	0.6665
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0111	0.3551	0.3551
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.037	0.5
Trypanosoma brucei	DNA polymerase eta, putative	0.0022	0.037	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0191	0.6421	0.6284
Brugia malayi	TAR-binding protein	0.0069	0.207	0.207
Schistosoma mansoni	hypothetical protein	0.0185	0.6219	1
Loa Loa (eye worm)	hypothetical protein	0.0076	0.2299	0.2299
Echinococcus granulosus	tar DNA binding protein	0.0069	0.207	0.3328
Brugia malayi	hypothetical protein	0.0041	0.1043	0.1043
Leishmania major	DNA polymerase eta, putative	0.0022	0.037	0.5
Echinococcus multilocularis	tar DNA binding protein	0.0069	0.207	0.3328
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.037	1
Brugia malayi	MH2 domain containing protein	0.0131	0.4261	0.4261
Echinococcus granulosus	dna polymerase eta	0.0022	0.037	0.0596
Loa Loa (eye worm)	MH2 domain-containing protein	0.0131	0.4261	0.4261
Schistosoma mansoni	hypothetical protein	0.0041	0.1043	0.1676
Echinococcus granulosus	dna polymerase kappa	0.0022	0.037	0.0596
Brugia malayi	ImpB/MucB/SamB family protein	0.0022	0.037	0.037
Schistosoma mansoni	hypothetical protein	0.0035	0.0845	0.1359
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0035	0.0845	0.1359
Echinococcus multilocularis	dna polymerase eta	0.0022	0.037	0.0596
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.037	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.037	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0111	0.3551	0.3551
Trypanosoma brucei	unspecified product	0.0022	0.037	1
Loa Loa (eye worm)	RNA binding protein	0.0069	0.207	0.207
Trypanosoma cruzi	DNA polymerase eta, putative	0.0022	0.037	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.1436	0.2309
Entamoeba histolytica	hypothetical protein	0.0041	0.1043	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0111	0.3551	0.3551
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.207	0.3328
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0845	0.0845
Trichomonas vaginalis	glucosylceramidase, putative	0.0201	0.6789	0.6665
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.037	1
Leishmania major	DNA polymerase kappa, putative	0.0022	0.037	0.5
Schistosoma mansoni	DNA polymerase eta	0.0022	0.037	0.0596
Loa Loa (eye worm)	TAR-binding protein	0.0069	0.207	0.207
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.037	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0052	0.1436	0.2309
Entamoeba histolytica	hypothetical protein	0.0041	0.1043	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.037	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0191	0.6421	0.6284
Trichomonas vaginalis	glucosylceramidase, putative	0.0191	0.6421	0.6284
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0052	0.1436	0.1436
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0069	0.207	0.207
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.037	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.037	0.5
Giardia lamblia	DINP protein human, muc B family	0.0022	0.037	0.5
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0052	0.1436	0.1436
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.207	0.3328
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0035	0.0845	0.0845
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0022	0.037	0.0596
Loa Loa (eye worm)	hypothetical protein	0.0022	0.037	0.037
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.037	1
Schistosoma mansoni	hypothetical protein	0.0035	0.0845	0.1359
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0022	0.037	0.0596
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.1436	0.2309
Mycobacterium ulcerans	DNA polymerase IV	0.0022	0.037	0.5
Brugia malayi	Latrophilin receptor protein 2	0.0035	0.0845	0.0845
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0035	0.0845	0.0845
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.037	1
Entamoeba histolytica	hypothetical protein	0.0041	0.1043	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0022	0.037	0.037
Trichomonas vaginalis	glucosylceramidase, putative	0.0191	0.6421	0.6284
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0022	0.037	0.0596
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.207	0.3328

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: CHEMBL575995

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1073682