TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 467.518 | Formula: C24H29N5O5
H donors: 5 H acceptors: 5 LogP: 1.05 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: OCCNCCn1nc2c3c1ccc(c3c(=O)c1c2c(O)ccc1O)NCCN1CCOCC1
InChi: 1S/C24H29N5O5/c30-12-7-25-5-9-29-16-2-1-15(26-6-8-28-10-13-34-14-11-28)19-20(16)23(27-29)21-17(31)3-4-18(32)22(21)24(19)33/h1-4,25-26,30-32H,5-14H2
InChiKey: CCXRHPMPBTVQIK-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
Loa Loa (eye worm)	hypothetical protein	0.008	0.5082	0.5002
Brugia malayi	hypothetical protein	0.0029	0.0954	0.0845
Giardia lamblia	DINP protein human, muc B family	0.0021	0.0301	0.5
Leishmania major	DNA polymerase kappa, putative	0.0021	0.0301	0.3158
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0025	0.0664	0.0664
Echinococcus multilocularis	tar DNA binding protein	0.014	1	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0021	0.0301	0.3158
Echinococcus multilocularis	dna polymerase eta	0.0021	0.0301	0.0143
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0025	0.0664	0.0512
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0021	0.0301	0.0143
Echinococcus granulosus	tar DNA binding protein	0.014	1	1
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0021	0.0301	0.5
Plasmodium falciparum	ataxin-2 like protein, putative	0.0029	0.0954	0.5
Brugia malayi	ImpB/MucB/SamB family protein	0.0021	0.0301	0.0185
Loa Loa (eye worm)	hypothetical protein	0.0043	0.2116	0.1987
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0019	0.0161	0.0161
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.2636	0.2636
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0301	0.3158
Brugia malayi	Bromodomain containing protein	0.0043	0.2109	0.2015
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0301	0.3158
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0021	0.0301	0.3158
Plasmodium vivax	ataxin-2 like protein, putative	0.0029	0.0954	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0301	0.3158
Schistosoma mansoni	tar DNA-binding protein	0.014	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0301	0.3158
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0301	0.3158
Schistosoma mansoni	tar DNA-binding protein	0.014	1	1
Schistosoma mansoni	bromodomain containing protein	0.0071	0.44	0.44
Trypanosoma brucei	DNA polymerase eta, putative	0.0021	0.0301	0.3158
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0301	0.3158
Loa Loa (eye worm)	MH2 domain-containing protein	0.0132	0.9339	0.9328
Loa Loa (eye worm)	hypothetical protein	0.0046	0.2333	0.2207
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0021	0.0301	0.3158
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0301	0.3158
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0021	0.0301	0.5
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.004	0.1892	0.176
Schistosoma mansoni	hypothetical protein	0.0023	0.0489	0.0489
Mycobacterium ulcerans	DNA polymerase IV	0.0021	0.0301	0.5
Loa Loa (eye worm)	bromodomain containing protein	0.002	0.0217	0.0057
Echinococcus granulosus	zinc finger protein	0.0022	0.0392	0.0235
Brugia malayi	PHD-finger family protein	0.0028	0.0881	0.0772
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0021	0.0301	0.5
Schistosoma mansoni	zinc finger protein	0.0022	0.0392	0.0392
Loa Loa (eye worm)	transcription factor SMAD2	0.0132	0.9339	0.9328
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.2636	0.2636
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0019	0.0161	0.0161
Trypanosoma brucei	DNA polymerase IV, putative	0.0021	0.0301	0.3158
Mycobacterium ulcerans	DNA polymerase IV	0.0021	0.0301	0.5
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.005	0.2636	0.2516
Echinococcus granulosus	dna polymerase eta	0.0021	0.0301	0.0143
Schistosoma mansoni	tar DNA-binding protein	0.014	1	1
Leishmania major	hypothetical protein, conserved	0.0029	0.0954	1
Echinococcus granulosus	fetal alzheimer antigen falz	0.0025	0.0664	0.0512
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0301	0.3158
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0067	0.4072	0.3975
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0021	0.0301	0.0301
Trypanosoma cruzi	PAB1-binding protein , putative	0.0029	0.0954	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0029	0.0954	1
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0021	0.0301	0.5
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0021	0.0301	0.3158
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0301	0.0143
Trypanosoma cruzi	PAB1-binding protein , putative	0.0029	0.0954	1
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0021	0.0301	0.0301
Toxoplasma gondii	LsmAD domain-containing protein	0.0029	0.0954	0.5
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0021	0.0301	0.0143
Brugia malayi	MH2 domain containing protein	0.0132	0.9339	0.9331
Schistosoma mansoni	tar DNA-binding protein	0.014	1	1
Trichomonas vaginalis	DNA polymerase eta, putative	0.0021	0.0301	0.5
Loa Loa (eye worm)	RNA binding protein	0.014	1	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0021	0.0301	0.3158
Brugia malayi	ImpB/MucB/SamB family protein	0.0021	0.0301	0.0185
Brugia malayi	RNA recognition motif domain containing protein	0.014	1	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0021	0.0301	0.3158
Schistosoma mansoni	tar DNA-binding protein	0.014	1	1
Trypanosoma brucei	unspecified product	0.0021	0.0301	0.3158
Echinococcus granulosus	dna polymerase kappa	0.0021	0.0301	0.0143
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.005	0.2636	0.2548
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0019	0.0161	0.0161
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	0.2636	0.2516
Trypanosoma cruzi	DNA polymerase eta, putative	0.0021	0.0301	0.3158
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0301	0.3158
Plasmodium falciparum	ataxin-2 like protein, putative	0.0029	0.0954	0.5
Loa Loa (eye worm)	TAR-binding protein	0.014	1	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	0.2636	0.2516
Loa Loa (eye worm)	PHD-finger family protein	0.0023	0.0489	0.0334
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.2636	0.2516
Schistosoma mansoni	DNA polymerase eta	0.0021	0.0301	0.0301
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.014	1	1
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0021	0.0301	0.0143
Leishmania major	DNA polymerase eta, putative	0.0021	0.0301	0.3158
Loa Loa (eye worm)	hypothetical protein	0.0048	0.2508	0.2385
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.2636	0.2516
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.2636	0.2636
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.004	0.1892	0.176
Brugia malayi	Bromodomain containing protein	0.0084	0.5475	0.542
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0954	0.0806
Brugia malayi	TAR-binding protein	0.014	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0301	0.3158
Echinococcus multilocularis	zinc finger protein	0.0022	0.0392	0.0235
Trypanosoma brucei	DNA polymerase IV, putative	0.0021	0.0301	0.3158
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0067	0.4072	0.3975
Echinococcus multilocularis	dna polymerase kappa	0.0021	0.0301	0.0143
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0019	0.0161	0.0161

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: CHEMBL1192503

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1160801