TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 218.298 | Formula: C12H18N4
H donors: 0 H acceptors: 2 LogP: 0.76 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: CN1C2CCC1CN(CC2)c1ccnnc1
InChi: 1S/C12H18N4/c1-15-10-2-3-12(15)9-16(7-5-10)11-4-6-13-14-8-11/h4,6,8,10,12H,2-3,5,7,9H2,1H3
InChiKey: WDVGXWCRUNFCBQ-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
Leishmania major	mitochondrial DNA polymerase beta	0.0333	0.4152	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0055	0.0357	0.1294
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0055	0.0357	0.0357
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0055	0.0357	0.0357
Echinococcus granulosus	thioredoxin glutathione reductase	0.0042	0.0178	0.0178
Echinococcus multilocularis	dna polymerase kappa	0.0046	0.0224	0.0224
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0095	0.0901	0.3997
Brugia malayi	nuclear receptor NHR-88	0.0055	0.0357	0.1294
Trypanosoma cruzi	DNA topoisomerase IB, large subunit, putative	0.0156	0.173	0.3917
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0106	0.1046	0.4791
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0095	0.0901	0.3997
Mycobacterium tuberculosis	Probable dehydrogenase	0.0095	0.0901	0.3997
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0047	0.0241	0.0176
Trichomonas vaginalis	set domain proteins, putative	0.0261	0.317	0.7792
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0175	0.1998	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0046	0.0224	0.0372
Brugia malayi	hypoxia-induced factor 1	0.0166	0.187	0.6781
Echinococcus granulosus	ras gtpase	0.0231	0.2757	0.2757
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0095	0.0901	0.3997
Echinococcus multilocularis	microtubule associated protein 2	0.0761	1	1
Mycobacterium ulcerans	DNA polymerase IV	0.0046	0.0224	0.0438
Trypanosoma brucei	DNA topoisomerase IB, large subunit	0.0156	0.173	0.4063
Trichomonas vaginalis	ras-dva small GTPase, putative	0.0231	0.2757	0.6699
Schistosoma mansoni	DNA topoisomerase type I	0.0208	0.2445	0.2445
Trichomonas vaginalis	ral, putative	0.0231	0.2757	0.6699
Toxoplasma gondii	hypothetical protein	0.0054	0.0335	0.1187
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0095	0.0901	0.3997
Echinococcus granulosus	DNA topoisomerase 1	0.0208	0.2445	0.2445
Schistosoma mansoni	nuclear hormone receptor	0.0055	0.0357	0.0357
Echinococcus multilocularis	FTZ F1 alpha	0.0055	0.0357	0.0357
Brugia malayi	Steroid receptor seven-up type 2	0.0055	0.0357	0.1294
Loa Loa (eye worm)	hypothetical protein	0.0231	0.2757	1
Toxoplasma gondii	thioredoxin reductase	0.0042	0.0171	0.0502
Brugia malayi	hypothetical protein	0.018	0.206	0.7472
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0033	0.005	0.005
Trypanosoma brucei	unspecified product	0.0038	0.0124	0.0126
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0055	0.0357	0.0357
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0055	0.0357	0.0357
Trypanosoma brucei	DNA polymerase kappa, putative	0.0046	0.0224	0.0372
Brugia malayi	nuclear hormone receptor	0.0055	0.0357	0.1294
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0055	0.0357	0.0357
Mycobacterium tuberculosis	Probable reductase	0.0095	0.0901	0.3997
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0055	0.0357	0.0357
Brugia malayi	photoreceptor-specific nuclear receptor	0.0055	0.0357	0.1294
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0357	0.1294
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.023	0.2737	0.9927
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0333	0.4152	1
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0106	0.1046	0.4791
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0046	0.0224	0.0135
Schistosoma mansoni	microtubule-associated protein tau	0.0761	1	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0322	0.4005	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0055	0.0357	0.1294
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0046	0.0224	0.0135
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0322	0.4005	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0055	0.0357	0.0357
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0055	0.0357	0.0357
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0055	0.0357	0.1294
Treponema pallidum	fructose-bisphosphate aldolase	0.0322	0.4005	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0046	0.0224	0.0372
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0357	0.1294
Mycobacterium ulcerans	hypothetical protein	0.0175	0.1998	1
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0333	0.4152	1
Loa Loa (eye worm)	DNA topoisomerase I	0.0208	0.2445	0.8867
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0106	0.1046	0.1705
Echinococcus multilocularis	ecdysone induced protein 78C	0.0055	0.0357	0.0357
Trypanosoma brucei	DNA polymerase IV, putative	0.0038	0.0124	0.0126
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0357	0.1294
Brugia malayi	Ras-related protein R-Ras2	0.0231	0.2757	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0046	0.0224	0.0135
Trypanosoma brucei	DNA polymerase kappa, putative	0.0046	0.0224	0.0372
Schistosoma mansoni	DNA topoisomerase type I	0.0156	0.173	0.173
Loa Loa (eye worm)	hypothetical protein	0.018	0.206	0.7472
Loa Loa (eye worm)	steroid hormone receptor	0.0055	0.0357	0.1294
Loa Loa (eye worm)	Ras protein let-60	0.0231	0.2757	1
Brugia malayi	DNA topoisomerase I	0.0208	0.2445	0.8867
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0333	0.4152	1
Onchocerca volvulus		0.0261	0.317	1
Mycobacterium ulcerans	DNA polymerase IV	0.0046	0.0224	0.0438
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0055	0.0357	0.1294
Schistosoma mansoni	thyroid hormone receptor	0.0055	0.0357	0.0357
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0055	0.0357	0.0357
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0158	0.1755	0.4123
Trichomonas vaginalis	rap1 and, putative	0.0231	0.2757	0.6699
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0322	0.4005	1
Schistosoma mansoni	thyroid hormone receptor	0.0055	0.0357	0.0357
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0322	0.4005	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0046	0.0224	0.0372
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0033	0.005	0.005
Echinococcus multilocularis	ras gtpase	0.0231	0.2757	0.2757
Trypanosoma brucei	DNA polymerase IV, putative	0.0046	0.0224	0.0372
Trypanosoma brucei	DNA polymerase kappa, putative	0.0046	0.0224	0.0372
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0158	0.1755	0.3978
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0032	0.0034	0.0034
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0033	0.005	0.005
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0357	0.1294
Echinococcus granulosus	histone lysine methyltransferase setb	0.0033	0.005	0.005
Echinococcus multilocularis	transfer RNA-Lys	0.004	0.0143	0.0143
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0055	0.0357	0.1294
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0055	0.0357	0.1294
Trypanosoma brucei	trypanothione reductase	0.0042	0.0171	0.024
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0055	0.0357	0.1294
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0055	0.0357	0.1294
Brugia malayi	Thioredoxin reductase	0.0042	0.0171	0.0619
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0322	0.4005	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0055	0.0357	0.0357
Brugia malayi	polk-prov protein	0.0035	0.0073	0.0264
Plasmodium vivax	topoisomerase I, putative	0.0208	0.2445	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0055	0.0357	0.1294
Trypanosoma brucei	DNA polymerase kappa, putative	0.0046	0.0224	0.0372
Brugia malayi	Pre-SET motif family protein	0.0033	0.005	0.0183
Onchocerca volvulus		0.004	0.0143	0.0297
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0055	0.0357	0.1294
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0055	0.0357	0.1294
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0046	0.0224	0.0135
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0055	0.0357	0.1294
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0322	0.4005	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0055	0.0357	0.0357
Brugia malayi	PAS domain containing protein	0.0054	0.0334	0.121
Brugia malayi	Nuclear hormone receptor-like 1	0.0055	0.0357	0.1294
Plasmodium falciparum	topoisomerase I	0.0208	0.2445	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0055	0.0357	0.1294
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0047	0.0241	0.0411
Leishmania major	DNA topoisomerase type IB small subunit	0.0052	0.0315	0.0363
Trichomonas vaginalis	dexras1, putative	0.0231	0.2757	0.6699
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0055	0.0357	0.0357
Echinococcus granulosus	dna polymerase kappa	0.0046	0.0224	0.0224
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0157	0.1752	1
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0357	0.1294
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0073	0.0264
Schistosoma mansoni	aryl hydrocarbon receptor	0.0054	0.0334	0.0334
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0055	0.0357	0.1294
Loa Loa (eye worm)	thioredoxin reductase	0.0042	0.0171	0.0619
Echinococcus granulosus	FTZ F1 alpha	0.0055	0.0357	0.0357
Leishmania major	DNA topoisomerase IB, large subunit	0.0156	0.173	0.3917
Trypanosoma brucei	DNA topoisomerase type IB small subunit	0.0052	0.0315	0.0595
Brugia malayi	bHLH-PAS transcription factor	0.004	0.0143	0.0519
Brugia malayi	glutathione reductase	0.0042	0.0171	0.0619
Trichomonas vaginalis	GTP-binding protein rit, putative	0.0231	0.2757	0.6699
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0055	0.0357	0.1294
Onchocerca volvulus		0.0055	0.0357	0.0982
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0055	0.0357	0.1294
Trichomonas vaginalis	rheb, putative	0.0231	0.2757	0.6699
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0322	0.4005	1
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0055	0.0357	0.0357
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0055	0.0357	0.1294
Giardia lamblia	Fructose-bisphosphate aldolase	0.0322	0.4005	0.5
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0357	0.1294
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0033	0.005	0.005
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0357	0.1294
Plasmodium vivax	glutathione reductase, putative	0.0042	0.0171	0.0502
Mycobacterium tuberculosis	Probable oxidoreductase	0.0106	0.1046	0.4791
Schistosoma mansoni	DNA topoisomerase type I	0.0156	0.173	0.173
Trypanosoma cruzi	DNA topoisomerase type IB small subunit, putative	0.0052	0.0315	0.0363
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0055	0.0357	0.0982
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0042	0.0178	0.0178
Schistosoma mansoni	RAR-like nuclear receptor	0.0055	0.0357	0.0357
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0322	0.4005	1
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0158	0.1755	0.3978
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0055	0.0357	0.1294
Trypanosoma brucei	DNA polymerase kappa, putative	0.0046	0.0224	0.0372
Brugia malayi	Ras protein let-60	0.0231	0.2757	1
Brugia malayi	steroid hormone receptor	0.0055	0.0357	0.1294
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0033	0.005	0.005
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0055	0.0357	0.1294
Echinococcus multilocularis	DNA topoisomerase 1	0.0208	0.2445	0.2445
Trypanosoma brucei	DNA polymerase kappa, putative	0.0046	0.0224	0.0372
Plasmodium vivax	thioredoxin reductase, putative	0.0042	0.0171	0.0502
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0055	0.0357	0.0357
Onchocerca volvulus	Bile acid receptor homolog	0.0055	0.0357	0.0982
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0057	0.038	0.0527
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0055	0.0357	0.0357
Echinococcus granulosus	single minded 2	0.004	0.0143	0.0143
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0055	0.0357	0.0357
Echinococcus granulosus	ecdysone induced protein 78C	0.0055	0.0357	0.0357
Toxoplasma gondii	DNA topoisomerase I, putative	0.0208	0.2445	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0033	0.005	0.005
Onchocerca volvulus	Protein ultraspiracle homolog	0.0055	0.0357	0.0982
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0055	0.0357	0.0357
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0047	0.0241	0.0176
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0055	0.0357	0.1294
Trypanosoma brucei	DNA polymerase IV, putative	0.0046	0.0224	0.0372
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0357	0.1294
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0055	0.0357	0.0357
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0322	0.4005	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0055	0.0357	0.0357
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0055	0.0357	0.0357
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0322	0.4005	1
Schistosoma mansoni	single-minded	0.0054	0.0334	0.0334
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0157	0.1752	0.8675
Loa Loa (eye worm)	glutathione reductase	0.0042	0.0171	0.0619
Brugia malayi	ecdysteroid receptor	0.0055	0.0357	0.1294
Schistosoma mansoni	coup transcription factor	0.0055	0.0357	0.0357
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0055	0.0357	0.0357
Brugia malayi	Pre-SET motif family protein	0.023	0.2737	0.9927
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0047	0.0241	0.0176
Loa Loa (eye worm)	hypoxia-induced factor 1	0.0166	0.187	0.6781
Loa Loa (eye worm)	hypothetical protein	0.0033	0.005	0.0183
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0157	0.1752	0.8655
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0055	0.0357	0.0357

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 9.28	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)	= 9.28	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 103610