TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 209.248 | Formula: C9H15N5O
H donors: 1 H acceptors: 1 LogP: 1.32 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Cc1[nH]nc(c1/N=N/N1CCOCC1)C
InChi: 1S/C9H15N5O/c1-7-9(8(2)11-10-7)12-13-14-3-5-15-6-4-14/h3-6H2,1-2H3,(H,10,11)/b13-12+
InChiKey: DMWBLHGWGCMSSP-OUKQBFOZSA-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	0.0066	0.0069	0.0202
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.009	0.0377	0.0377
Echinococcus granulosus	CD36 class B scavenger receptor	0.0326	0.342	0.426
Echinococcus multilocularis	CD36 class B scavenger receptor	0.0326	0.342	0.342
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.009	0.0377	0.047
Brugia malayi	hypothetical protein	0.0123	0.0804	0.2351
Schistosoma mansoni	hypothetical protein	0.0684	0.803	1
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0107	0.0597	0.1744
Loa Loa (eye worm)	hypothetical protein	0.0326	0.342	1
Schistosoma mansoni	CD36-like class B scavenger receptor	0.0326	0.342	0.426
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0429	0.1253
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0107	0.0597	0.0597
Schistosoma mansoni	hypothetical protein	0.0572	0.6588	0.8205
Loa Loa (eye worm)	hypothetical protein	0.0326	0.342	1
Schistosoma mansoni	cd36 antigen	0.0123	0.0804	0.1001
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.009	0.0377	0.047
Echinococcus multilocularis	CD36 class B scavenger receptor	0.0326	0.342	0.342
Loa Loa (eye worm)	MBCTL1	0.0107	0.0597	0.1744
Loa Loa (eye worm)	hypothetical protein	0.0123	0.0804	0.2351
Schistosoma mansoni	hypothetical protein	0.0066	0.0069	0.0086
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0107	0.0597	0.0743
Brugia malayi	hypothetical protein	0.0123	0.0804	0.2351
Echinococcus granulosus	lysosome membrane protein 2	0.0326	0.342	0.426
Brugia malayi	mbt repeat family protein	0.0094	0.0429	0.1253
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0097	0.0464	0.1356
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.009	0.0377	0.047
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.009	0.0377	0.047
Loa Loa (eye worm)	hypothetical protein	0.0097	0.0464	0.1356
Loa Loa (eye worm)	hypothetical protein	0.0123	0.0804	0.2351
Schistosoma mansoni	sex comb on midleg homolog	0.0094	0.0429	0.0534
Schistosoma mansoni	CD36-like class B scavenger receptor	0.0326	0.342	0.426
Echinococcus granulosus	CD36 class B scavenger receptor	0.0326	0.342	0.426
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0094	0.0429	0.0429
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.009	0.0377	0.047
Loa Loa (eye worm)	hypothetical protein	0.0326	0.342	1
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0094	0.0429	0.0534
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0107	0.0597	0.0743
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0371	0.3995	0.3995
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0097	0.0464	0.1356
Echinococcus multilocularis	CD36 class B scavenger receptor	0.0326	0.342	0.342
Loa Loa (eye worm)	mbt repeat family protein	0.0094	0.0429	0.1253
Echinococcus multilocularis	polycomb protein SCMH1	0.0094	0.0429	0.0429
Echinococcus granulosus	geminin	0.0684	0.803	1
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0371	0.3995	0.4975
Echinococcus multilocularis	lysosome membrane protein 2	0.0326	0.342	0.342
Schistosoma mansoni	hypothetical protein	0.0684	0.803	1
Echinococcus granulosus	histone acetyltransferase MYST2	0.0107	0.0597	0.0743
Brugia malayi	mbt repeat family protein	0.0094	0.0429	0.1253
Echinococcus multilocularis	geminin	0.0684	0.803	0.803
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0597	0.1744
Echinococcus granulosus	CD36 class B scavenger receptor	0.0326	0.342	0.426
Echinococcus granulosus	CD36 class B scavenger receptor	0.0326	0.342	0.426
Echinococcus granulosus	SAM and MBT domain containing protein	0.0094	0.0429	0.0534
Loa Loa (eye worm)	hypothetical protein	0.0123	0.0804	0.2351
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0107	0.0597	0.0597
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.009	0.0377	0.1103
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0097	0.0464	0.1356
Echinococcus granulosus	CD36 class B scavenger receptor	0.0326	0.342	0.426
Brugia malayi	latrophilin 2 splice variant baaae	0.0066	0.0069	0.0202
Echinococcus multilocularis	CD36 class B scavenger receptor	0.0326	0.342	0.342
Schistosoma mansoni	sex comb on midleg homolog	0.0094	0.0429	0.0534
Schistosoma mansoni	scavenger receptor class B type-2 (sr-B2)	0.0326	0.342	0.426
Onchocerca volvulus	Lysosome membrane protein 2 homolog	0.0326	0.342	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.009	0.0377	0.1103
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.009	0.0377	0.0377
Echinococcus granulosus	polycomb protein SCMH1	0.0094	0.0429	0.0534
Brugia malayi	CD36 family protein	0.0326	0.342	1
Echinococcus multilocularis	CD36 class B scavenger receptor	0.0326	0.342	0.342

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 0.7 uM	DNDI	DNDI.	No reference
IC50	= 3.61 uM	DNDI: Cytotoxicity against human MRC-5 lung fibroblast cells.	ChEMBL.	No reference
T/C (functional)	= 124 %	Antitumor activity against mouse L1210 cells allografted in mouse assessed as survival rate at 20 mg/kg relative to control	ChEMBL.	671454

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23
Trypanosoma brucei gambiense

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: CHEMBL2094320

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 1670337