TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 216.239 | Formula: C11H12N4O
H donors: 1 H acceptors: 3 LogP: 0.4 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Cn1nc(c(c1)C(=O)Nc1cccnc1)C
InChi: 1S/C11H12N4O/c1-8-10(7-15(2)14-8)11(16)13-9-4-3-5-12-6-9/h3-7H,1-2H3,(H,13,16)
InChiKey: MZBCFWVQEOOURS-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
Trichomonas vaginalis	ion channel nompc, putative	0.0002	0.000000096949	0.00000074174
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0018	0.1045	0.1148
Schistosoma mansoni	hypothetical protein	0.0018	0.1045	0.1034
Schistosoma mansoni	hypothetical protein	0.0018	0.1045	0.1034
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0018	0.1045	0.1056
Trichomonas vaginalis	ankyrin, putative	0.0002	0.000000096949	0.00000074174
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0002	0.0013	0.0097
Loa Loa (eye worm)	hypothetical protein	0.0116	0.7519	0.826
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0002	0.0013	0.0097
Echinococcus multilocularis	GPCR, family 2	0.0018	0.1045	0.1047
Echinococcus granulosus	tankyrase	0.0154	0.9986	1
Trichomonas vaginalis	conserved hypothetical protein	0.0022	0.1307	1
Schistosoma mansoni	hypothetical protein	0.0018	0.1045	0.1034
Trichomonas vaginalis	conserved hypothetical protein	0.0022	0.1307	1
Brugia malayi	hypothetical protein	0.0029	0.1753	0.1771
Trichomonas vaginalis	inversin, putative	0.0002	0.000000096949	0.00000074174
Trypanosoma cruzi	PAB1-binding protein , putative	0.0029	0.1753	1
Echinococcus granulosus	GPCR family 2	0.0018	0.1045	0.1047
Brugia malayi	WGR domain containing protein	0.0022	0.1307	0.132
Trypanosoma brucei	PAB1-binding protein , putative	0.0029	0.1753	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0018	0.1045	0.1047
Brugia malayi	WGR domain containing protein	0.0022	0.1307	0.132
Plasmodium falciparum	ataxin-2 like protein, putative	0.0029	0.1753	1
Trichomonas vaginalis	ankyrin repeat domain protein, putative	0.0002	0.000000096949	0.00000074174
Trypanosoma brucei	poly(adp-ribose) polymerase	0.0022	0.1307	0.7436
Brugia malayi	coiled-coil like protein 1	0.0014	0.0757	0.0765
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0757	0.0832
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0002	0.0013	0.0097
Entamoeba histolytica	hypothetical protein	0.0022	0.1307	0.5
Trichomonas vaginalis	unc-44 ankyrins, putative	0.0002	0.0013	0.0097
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0757	0.5791
Brugia malayi	Neurabin protein 1	0.0014	0.0757	0.0765
Giardia lamblia	Kinase, NEK	0.0002	0.0013	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0022	0.1307	1
Loa Loa (eye worm)	toll and interleukin 1 receptor domain-containing protein isoform f	0.0014	0.0757	0.0832
Echinococcus multilocularis	sterile alpha and tir motif containing protein	0.0014	0.0757	0.0758
Giardia lamblia	Kinase, NEK	0.0002	0.0013	0.5
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0002	0.0013	0.0097
Trichomonas vaginalis	serine/threonine-protein kinase ripk4, putative	0.0002	0.000000096949	0.00000074174
Echinococcus multilocularis	E3 ubiquitin protein ligase mib1	0.0002	0.0013	0.0013
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0057	0.3603	0.3959
Brugia malayi	hypothetical protein	0.0014	0.0757	0.0765
Loa Loa (eye worm)	hypothetical protein	0.0029	0.1753	0.1926
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0057	0.3603	0.364
Echinococcus multilocularis	tankyrase	0.0154	0.9986	1
Schistosoma mansoni	hypothetical protein	0.0018	0.1045	0.1034
Loa Loa (eye worm)	tnks protein	0.014	0.9103	1
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0002	0.0013	0.0097
Loa Loa (eye worm)	hypothetical protein	0.0018	0.1045	0.1148
Trichomonas vaginalis	conserved hypothetical protein	0.0022	0.1307	1
Schistosoma mansoni	hypothetical protein	0.0014	0.0757	0.0745
Brugia malayi	Tnks protein	0.0152	0.9899	1
Entamoeba histolytica	hypothetical protein	0.0022	0.1307	0.5
Schistosoma mansoni	hypothetical protein	0.0014	0.0757	0.0745
Echinococcus granulosus	poly adp ribose polymerase 2	0.0022	0.1307	0.1309
Schistosoma mansoni	poly [ADP-ribose] polymerase	0.0022	0.1307	0.1296
Onchocerca volvulus	Tankyrase homolog	0.0138	0.8951	1
Trichomonas vaginalis	conserved hypothetical protein	0.0022	0.1307	1
Toxoplasma gondii	poly(ADP-ribose) polymerase catalytic domain-containing protein	0.0022	0.1307	0.5521
Schistosoma mansoni	hypothetical protein	0.0014	0.0757	0.0745
Echinococcus granulosus	Sterile alpha motif SAM	0.0014	0.0757	0.0758
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0018	0.1045	0.1047
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0002	0.0013	0.0097
Loa Loa (eye worm)	poly(ADP-ribose) polymerase	0.0022	0.1307	0.1436
Loa Loa (eye worm)	hypothetical protein	0.0057	0.3603	0.3959
Toxoplasma gondii	LsmAD domain-containing protein	0.0029	0.1753	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0757	0.0832
Leishmania major	hypothetical protein, conserved	0.0029	0.1753	1
Echinococcus multilocularis	stromal interaction molecule 1	0.0014	0.0757	0.0758
Echinococcus multilocularis	poly (ADP ribose) polymerase	0.0022	0.1307	0.1309
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0002	0.000000096949	0.00000074174
Echinococcus multilocularis	Ankyrin	0.0002	0.0014	0.0014
Trichomonas vaginalis	ankyrin, putative	0.0002	0.0014	0.0109
Trypanosoma cruzi	poly(ADP-ribose) polymerase, putative	0.0022	0.1307	0.7436
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1307	0.1436
Echinococcus granulosus	liprin alpha 2	0.0014	0.0757	0.0758
Trichomonas vaginalis	ankyrin repeat domain-containing protein, putative	0.0002	0.000000096949	0.00000074174
Loa Loa (eye worm)	hypothetical protein	0.0039	0.2419	0.2658
Brugia malayi	Liprin-alpha 2	0.0014	0.0757	0.0765
Entamoeba histolytica	hypothetical protein	0.0022	0.1307	0.5
Echinococcus granulosus	E3 ubiquitin protein ligase mib1	0.0002	0.0013	0.0013
Schistosoma mansoni	lip-related protein (liprin) alpha	0.0014	0.0757	0.0745
Trichomonas vaginalis	ankyrin repeat-rich membrane-spanning protein, putative	0.0002	0.000000096949	0.00000074174
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0002	0.0014	0.0109
Trichomonas vaginalis	ankyrin repeat domain protein, putative	0.0003	0.0037	0.028
Trichomonas vaginalis	tankyrase, putative	0.0002	0.000000096949	0.00000074174
Trichomonas vaginalis	conserved hypothetical protein	0.0022	0.1307	1
Brugia malayi	sterile alpha and TIR motif containing protein 1 isoform a	0.0014	0.0757	0.0765
Schistosoma mansoni	poly [ADP-ribose] polymerase	0.0022	0.1307	0.1296
Trichomonas vaginalis	E3 ubiquitin protein ligase, putative	0.0002	0.000000096949	0.00000074174
Echinococcus multilocularis	SAM domain containing protein	0.0014	0.0757	0.0758
Trichomonas vaginalis	conserved hypothetical protein	0.0022	0.1307	1
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0002	0.000000096949	0.00000074174
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0002	0.000000096949	0.00000074174
Schistosoma mansoni	hypothetical protein	0.0039	0.2419	0.241
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0013	0.071	0.0711
Brugia malayi	Patatin-like phospholipase family protein	0.0002	0.0013	0.0013
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0757	0.5791
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0002	0.0013	0.0097
Brugia malayi	Latrophilin receptor protein 2	0.0018	0.1045	0.1056
Trichomonas vaginalis	ankyrin 2,3/unc44, putative	0.0003	0.0052	0.04
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0002	0.000000096949	0.00000074174
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0757	0.0832
Echinococcus granulosus	sterile alpha and tir motif containing protein	0.0014	0.0757	0.0758
Brugia malayi	latrophilin 2 splice variant baaae	0.0039	0.2419	0.2444
Echinococcus granulosus	SAM domain containing protein	0.0014	0.0757	0.0758
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0018	0.1045	0.1047
Entamoeba histolytica	poly(ADP-ribose) polymerase, putative	0.0022	0.1307	0.5
Loa Loa (eye worm)	hypothetical protein	0.0002	0.0014	0.0016
Echinococcus granulosus	stromal interaction molecule 1	0.0014	0.0757	0.0758
Plasmodium vivax	ataxin-2 like protein, putative	0.0029	0.1753	1
Echinococcus granulosus	poly ADP ribose polymerase 1	0.0022	0.1307	0.1309
Brugia malayi	hypothetical protein	0.0014	0.0757	0.0765
Trichomonas vaginalis	ankyrin, putative	0.0002	0.0013	0.0097
Echinococcus granulosus	Ankyrin	0.0002	0.0013	0.0013
Trypanosoma cruzi	poly(ADP-ribose) polymerase, putative	0.0022	0.1307	0.7436
Trichomonas vaginalis	ion channel nompc, putative	0.0002	0.000000096949	0.00000074174
Trypanosoma cruzi	PAB1-binding protein , putative	0.0029	0.1753	1
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0003	0.0038	0.0292
Trichomonas vaginalis	conserved hypothetical protein	0.0022	0.1307	1
Trichomonas vaginalis	protein phosphatase 1 regulatory subunit 12C, putative	0.0002	0.0013	0.0097
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0018	0.1045	0.1047
Onchocerca volvulus		0.0014	0.0757	0.00000011832
Trichomonas vaginalis	c2h2 zinc finger protein, putative	0.0014	0.0757	0.5791
Trichomonas vaginalis	unc-44 ankyrins, putative	0.0002	0.0013	0.0097
Trichomonas vaginalis	ankyrin repeat domain protein, putative	0.0002	0.0013	0.0097
Echinococcus multilocularis	liprin alpha 2	0.0014	0.0757	0.0758
Trichomonas vaginalis	ankyrin repeat domain protein, putative	0.0002	0.0013	0.0097
Schistosoma mansoni	hypothetical protein	0.0013	0.071	0.0698
Schistosoma mansoni	lar interacting protein (lip)-related protein	0.0014	0.0757	0.0745
Entamoeba histolytica	hypothetical protein	0.0022	0.1307	0.5
Schistosoma mansoni	sarm1	0.0014	0.0757	0.0745
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0757	0.0832
Schistosoma mansoni	hypothetical protein	0.0014	0.0757	0.0745
Trichomonas vaginalis	2-5A-dependent ribonuclease, putative	0.0002	0.0013	0.0097
Echinococcus multilocularis	liprin beta 1	0.0014	0.0757	0.0758
Entamoeba histolytica	zinc finger protein, putative	0.0022	0.1307	0.5
Trichomonas vaginalis	ankyrin 2,3/unc44, putative	0.0002	0.0013	0.0097
Trichomonas vaginalis	ankyrin repeat and FYVE domain containing protein, putative	0.0002	0.0013	0.0097
Trichomonas vaginalis	conserved hypothetical protein	0.0022	0.1307	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0757	0.0832
Trichomonas vaginalis	ion channel nompc, putative	0.0002	0.0013	0.0097
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0013	0.071	0.0711
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0757	0.5791
Brugia malayi	hypothetical protein	0.0019	0.1083	0.1094
Echinococcus multilocularis	poly (adp ribose) polymerase 2	0.0022	0.1307	0.1309
Plasmodium falciparum	ataxin-2 like protein, putative	0.0029	0.1753	1
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0757	0.5791
Echinococcus granulosus	liprin beta 1	0.0014	0.0757	0.0758
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0057	0.3603	0.364
Echinococcus multilocularis	poly (ADP ribose) polymerase 1	0.0022	0.1307	0.1309
Trichomonas vaginalis	multiple ankyrin repeats single kh domain protein, putative	0.0002	0.0013	0.0097

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	> 100 uM	Inhibition of full length C-terminal His6-tagged human NAMPT expressed in Escherichia coli Rosetta (DE3) cells using PRPP/NAM as substrate/cofactor preincubated for 15 mins followed by substrate/cofactor addition measured after 30 mins	ChEMBL.	24433859
Kd (binding)	= 59 uM	Binding affinity to N-terminal His6-tagged/biotinylated C-terminal Avi-tagged human NAMPT (2 to 491) by SPR analysis	ChEMBL.	24433859

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: CHEMBL3112702

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 1831389