TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 201.268 | Formula: C12H15N3
H donors: 0 H acceptors: 2 LogP: 1 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: CN1C2CCC1C(=CC2)c1cncnc1
InChi: 1S/C12H15N3/c1-15-10-2-4-11(12(15)5-3-10)9-6-13-8-14-7-9/h4,6-8,10,12H,2-3,5H2,1H3
InChiKey: IEGZJSVYJFWLHN-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
Brugia malayi	follicle stimulating hormone receptor	0.0234	0.8447	0.8409
Trichomonas vaginalis	chromobox protein, putative	0.0047	0.1003	0.0666
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0025	0.0133	0.0283
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.4242	0.9069
Entamoeba histolytica	rodhanase-like domain containing protein	0.0134	0.4476	1
Onchocerca volvulus		0.0134	0.4476	0.6907
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0531	0.0486
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0052	0.1182	0.0966
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0139	0.4678	0.8215
Schistosoma mansoni	hypothetical protein	0.0035	0.0531	0.1135
Onchocerca volvulus	Glucosylceramidase homolog	0.0179	0.626	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.084	0.0796
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0063	0.1654	0.1614
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0068	0.1837	1
Loa Loa (eye worm)	hypothetical protein	0.0134	0.4476	0.445
Onchocerca volvulus		0.0134	0.4476	0.6907
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0049	0.1084	0.075
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0068	0.1837	0.0709
Onchocerca volvulus	Eukaryotic initiation factor 4A homolog	0.0049	0.1084	0.1024
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0946	0.0903
Brugia malayi	TAR-binding protein	0.0128	0.4242	0.4102
Loa Loa (eye worm)	hypothetical protein	0.0124	0.4059	0.403
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0068	0.1837	0.0709
Echinococcus multilocularis	chromobox protein 1	0.0078	0.2239	0.3931
Brugia malayi	Rhodanese-like domain containing protein	0.0134	0.4476	0.4342
Trichomonas vaginalis	glucosylceramidase, putative	0.0189	0.6645	0.6519
Echinococcus granulosus	tar DNA binding protein	0.0128	0.4242	0.745
Brugia malayi	Heterochromatin protein 1	0.0078	0.2239	0.2049
Toxoplasma gondii	eukaryotic initiation factor-4A, putative	0.0049	0.1084	0.5
Echinococcus multilocularis	m phase inducer phosphatase(cdc25)	0.0134	0.4476	0.7861
Trypanosoma brucei	beta lactamase	0.0063	0.1643	1
Loa Loa (eye worm)	hypothetical protein	0.0079	0.2286	0.2249
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0139	0.4678	0.4653
Entamoeba histolytica	rodhanase-like domain containing protein	0.0134	0.4476	1
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0044	0.087	0.0654
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0128	0.4242	0.4215
Trichomonas vaginalis	chromobox protein, putative	0.0047	0.1003	0.0666
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0139	0.4678	1
Echinococcus granulosus	eukaryotic initiation factor 4A	0.0049	0.1084	0.1903
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0234	0.8447	0.844
Trichomonas vaginalis	glucosylceramidase, putative	0.0273	1	1
Loa Loa (eye worm)	hypothetical protein	0.0165	0.5694	0.5674
Loa Loa (eye worm)	hypothetical protein	0.0124	0.4059	0.403
Loa Loa (eye worm)	hypothetical protein	0.0134	0.4476	0.445
Schistosoma mansoni	chromobox protein	0.0078	0.2239	0.4785
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0139	0.4678	0.4548
Trichomonas vaginalis	conserved hypothetical protein	0.0044	0.087	0.0529
Echinococcus granulosus	chromobox protein 1	0.0078	0.2239	0.3931
Plasmodium falciparum	eukaryotic initiation factor 4A	0.0049	0.1084	0.5
Treponema pallidum	ATP-dependent RNA helicase	0.0049	0.1084	0.5
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0068	0.1837	0.3225
Echinococcus granulosus	eukaryotic initiation factor 4A III	0.0049	0.1084	0.1903
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0049	0.1084	0.075
Trichomonas vaginalis	cdc25b, putative	0.0134	0.4476	0.427
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0049	0.1084	0.2317
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0052	0.1182	0.0966
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.004	0.0731	0.1284
Schistosoma mansoni	chromobox protein	0.0078	0.2239	0.4785
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0049	0.1084	0.5
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0493	0.0448
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0139	0.4678	1
Echinococcus granulosus	chromobox protein 1	0.0078	0.2239	0.3931
Brugia malayi	Bromodomain containing protein	0.0084	0.2477	0.2293
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0068	0.1837	0.229
Trichomonas vaginalis	glucosylceramidase, putative	0.0273	1	1
Echinococcus multilocularis	muscleblind protein 1	0.0165	0.5694	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1084	0.1041
Trichomonas vaginalis	glucosylceramidase, putative	0.0179	0.626	0.612
Brugia malayi	MH2 domain containing protein	0.0234	0.8441	0.8403
Echinococcus granulosus	muscleblind protein	0.0165	0.5694	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0273	1	1
Echinococcus multilocularis	muscleblind protein	0.0165	0.5694	1
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0049	0.1084	0.075
Loa Loa (eye worm)	hypothetical protein	0.0048	0.1031	0.0988
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.4242	0.9069
Trichomonas vaginalis	mitotic inducer phosphatase CDC25, putative	0.0134	0.4476	0.427
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0068	0.1837	0.3225
Trichomonas vaginalis	m-phase inducer phosphatase, putative	0.0134	0.4476	0.427
Trichomonas vaginalis	mitotic inducer phosphatase CDC25, putative	0.0134	0.4476	0.427
Trichomonas vaginalis	glucosylceramidase, putative	0.0179	0.626	0.612
Trichomonas vaginalis	cdc25b, putative	0.0134	0.4476	0.427
Giardia lamblia	Translation initiation factor eIF-4A, putative	0.0049	0.1084	0.5
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0049	0.1084	0.2317
Mycobacterium tuberculosis	Probable conserved lipoprotein LpqF	0.0063	0.1643	0.1702
Trichomonas vaginalis	glucosylceramidase, putative	0.0179	0.626	0.612
Trichomonas vaginalis	chromobox protein, putative	0.0078	0.2239	0.1948
Trichomonas vaginalis	conserved hypothetical protein	0.0044	0.087	0.0529
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.004	0.0731	0.1284
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0068	0.1837	0.1637
Loa Loa (eye worm)	hypothetical protein	0.0165	0.5694	0.5674
Loa Loa (eye worm)	heterochromatin protein 1	0.0078	0.2239	0.2202
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.4242	0.9069
Echinococcus multilocularis	eukaryotic initiation factor 4A III	0.0049	0.1084	0.1903
Loa Loa (eye worm)	TAR-binding protein	0.0128	0.4242	0.4215
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.4242	0.9069
Loa Loa (eye worm)	transcription factor SMAD2	0.0234	0.8441	0.8433
Trichomonas vaginalis	glucosylceramidase, putative	0.0179	0.626	0.612
Onchocerca volvulus		0.0134	0.4476	0.6907
Trichomonas vaginalis	glucosylceramidase, putative	0.0273	1	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0067	0.1793	0.3149
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0273	1	1
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0025	0.0133	0.0233
Echinococcus multilocularis	eukaryotic initiation factor 4A	0.0049	0.1084	0.1903
Trichomonas vaginalis	glucosylceramidase, putative	0.0179	0.626	0.612
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.0531	0.03
Echinococcus granulosus	m phase inducer phosphatasecdc25	0.0134	0.4476	0.7861
Echinococcus granulosus	fetal alzheimer antigen falz	0.0025	0.0133	0.0233
Schistosoma mansoni	m-phase inducer phosphatase(cdc25)	0.0134	0.4476	0.9569
Brugia malayi	chromobox protein homolog 3	0.0044	0.087	0.0647
Trichomonas vaginalis	chromobox protein, putative	0.0078	0.2239	0.1948
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.4242	0.9069
Brugia malayi	eukaryotic initiation factor 4A	0.0049	0.1084	0.0866
Trichomonas vaginalis	glucosylceramidase, putative	0.0189	0.6645	0.6519
Trichomonas vaginalis	m-phase inducer phosphatase, putative	0.0134	0.4476	0.427
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0067	0.1793	0.3149
Brugia malayi	RNA recognition motif domain containing protein	0.0128	0.4242	0.4102
Loa Loa (eye worm)	hypothetical protein	0.0044	0.087	0.0827
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0139	0.4678	1
Schistosoma mansoni	hypothetical protein	0.0023	0.0047	0.0101
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0139	0.4678	0.8215
Mycobacterium ulcerans	class a beta-lactamase, BlaC	0.0132	0.4371	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0273	1	1
Plasmodium vivax	RNA helicase-1, putative	0.0049	0.1084	0.5
Schistosoma mansoni	bromodomain containing protein	0.0071	0.1953	0.4175
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0047	0.1003	0.0884
Trichomonas vaginalis	cdc25c, putative	0.0134	0.4476	0.427
Trichomonas vaginalis	glucosylceramidase, putative	0.0179	0.626	0.612
Entamoeba histolytica	rodhanase-like domain containing protein	0.0134	0.4476	1
Mycobacterium leprae	PROBABLE CONSERVED LIPOPROTEIN LPQF	0.0063	0.1643	0.5
Brugia malayi	Rhodanese-like domain containing protein	0.0134	0.4476	0.4342
Brugia malayi	Muscleblind-like protein	0.0165	0.5694	0.5589
Echinococcus multilocularis	tar DNA binding protein	0.0128	0.4242	0.745
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0139	0.4678	0.8215
Trichomonas vaginalis	glucosylceramidase, putative	0.0273	1	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.1182	0.114
Echinococcus multilocularis	chromobox protein 1	0.0078	0.2239	0.3931
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0049	0.1084	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0139	0.4678	0.8215
Trichomonas vaginalis	glucosylceramidase, putative	0.0179	0.626	0.612
Loa Loa (eye worm)	MH2 domain-containing protein	0.0234	0.8441	0.8433
Onchocerca volvulus		0.0134	0.4476	0.6907
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0052	0.1182	0.114
Mycobacterium tuberculosis	Class a beta-lactamase BlaC	0.0132	0.4371	1
Trichomonas vaginalis	mitotic inducer phosphatase CDC25, putative	0.0134	0.4476	0.427
Brugia malayi	Bromodomain containing protein	0.0043	0.0837	0.0613
Loa Loa (eye worm)	RNA binding protein	0.0128	0.4242	0.4215
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0068	0.1837	0.3926
Brugia malayi	RNA binding protein	0.0128	0.4242	0.4102

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 7.9	In vitro binding affinity towards (alpha-4)2(beta-2)3 neuronal nicotinic acetylcholine receptor in P2 membrane fractions of rat forebrain	ChEMBL.	12747776
Log Ki (binding)	= 7.36	In vitro binding affinity towards (alpha-4)2(beta-2)3 neuronal nicotinic acetylcholine receptor in P2 membrane fractions of rat forebrain	ChEMBL.	12747776
Log Ki (binding)	= 7.9	In vitro binding affinity towards (alpha-4)2(beta-2)3 neuronal nicotinic acetylcholine receptor in P2 membrane fractions of rat forebrain	ChEMBL.	12747776

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

No external resources registered for this compound

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 102545