TDR Targets

Basic information

Technical information

TDR Targets ID: 163434
Name: 7-phenyl-5,6,7,8-tetrahydropteridine-2,4-diam ine
MW: 242.28 | Formula: C12H14N6
H donors: 4 H acceptors: 2 LogP: 1.11 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: Nc1nc2NC(CNc2c(n1)N)c1ccccc1
InChi: 1S/C12H14N6/c13-10-9-11(18-12(14)17-10)16-8(6-15-9)7-4-2-1-3-5-7/h1-5,8,15H,6H2,(H5,13,14,16,17,18)
InChiKey: IZJDAHCBVJUGIG-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

(2-amino-7-phenyl-5,6,7,8-tetrahydropteridin-4-yl)amine

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	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0044	1	0.5
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.004	0.8411	0.8411
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.004	0.8411	0.8411
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0022	0.1209	0.1209
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.004	0.8411	0.8411
Onchocerca volvulus		0.004	0.8411	0.8411
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0022	0.1209	0.1209
Echinococcus granulosus	glycine receptor subunit alpha 1	0.004	0.8411	0.8411
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.004	0.8411	0.8411
Loa Loa (eye worm)	hypothetical protein	0.004	0.8411	0.8411
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0022	0.1209	0.1209
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.004	0.8411	0.8411
Trypanosoma brucei	3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative	0.0044	1	0.5
Brugia malayi	Cation transporter family protein	0.004	0.8411	0.8411
Loa Loa (eye worm)	hypothetical protein	0.004	0.8411	0.8411
Echinococcus granulosus	3 oxo 5 alpha steroid 4 dehydrogenase C terminal	0.0044	1	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1209	0.1209
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.004	0.8411	0.8411
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1209	0.1209
Giardia lamblia	Synaptic glycoprotein SC2	0.0044	1	0.5
Schistosoma mansoni	nAChR subunit	0.004	0.8411	0.8411
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.004	0.8411	0.8411
Toxoplasma gondii	3-oxo-5-alpha-steroid 4-dehydrogenase	0.0044	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.004	0.8411	0.8411
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.004	0.8411	0.8411
Loa Loa (eye worm)	hypothetical protein	0.004	0.8411	0.8411
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0044	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1209	0.1209
Loa Loa (eye worm)	hypothetical protein	0.004	0.8411	0.8411
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1209	0.1209
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.004	0.8411	0.8411
Schistosoma mansoni	nicotinic acetylcholine receptor alpha	0.0022	0.1209	0.1209
Loa Loa (eye worm)	hypothetical protein	0.004	0.8411	0.8411
Onchocerca volvulus		0.004	0.8411	0.8411
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.004	0.8411	0.8411
Loa Loa (eye worm)	hypothetical protein	0.004	0.8411	0.8411
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.004	0.8411	0.8411
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1209	0.1209
Schistosoma mansoni	nAChR subunit	0.004	0.8411	0.8411
Plasmodium vivax	polyprenol reductase, putative	0.0044	1	0.5
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.004	0.8411	0.8411
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0022	0.1209	0.1209
Echinococcus granulosus	nAChR subunit	0.004	0.8411	0.8411
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.004	0.8411	0.8411
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.004	0.8411	0.8411
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.004	0.8411	0.8411
Leishmania major	3-oxo-5-alpha-steroid 4-dehydrogenase-like protein	0.0044	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.004	0.8411	0.8411
Echinococcus multilocularis	nAChR subunit	0.0022	0.1209	0.1209
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1209	0.1209
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.004	0.8411	0.8411
Trichomonas vaginalis	conserved hypothetical protein	0.0044	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1209	0.1209
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.004	0.8411	0.8411
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.004	0.8411	0.8411
Loa Loa (eye worm)	hypothetical protein	0.004	0.8411	0.8411
Loa Loa (eye worm)	hypothetical protein	0.004	0.8411	0.8411
Schistosoma mansoni	nAChR subunit	0.004	0.8411	0.8411
Echinococcus granulosus	synaptic glycoprotein sc2	0.0044	1	1
Echinococcus granulosus	glycine receptor subunit beta	0.004	0.8411	0.8411
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.004	0.8411	0.8411
Schistosoma mansoni	synaptic glycoprotein sc2 related	0.0044	1	1
Trypanosoma cruzi	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0044	1	0.5
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.004	0.8411	0.8411
Schistosoma mansoni	nAChR subunit	0.004	0.8411	0.8411
Brugia malayi	Cation transporter family protein	0.004	0.8411	0.8411
Entamoeba histolytica	trans-2,3-enoyl-CoA reductase, putative	0.0044	1	1
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.004	0.8411	0.8411
Loa Loa (eye worm)	hypothetical protein	0.004	0.8411	0.8411
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.004	0.8411	0.8411
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.004	0.8411	0.8411
Plasmodium vivax	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0044	1	0.5
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.004	0.8411	0.8411
Echinococcus granulosus	nAChR subunit	0.0022	0.1209	0.1209
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0022	0.1209	0.1209
Loa Loa (eye worm)	hypothetical protein	0.004	0.8411	0.8411
Loa Loa (eye worm)	hypothetical protein	0.004	0.8411	0.8411
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.004	0.8411	0.8411
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.004	0.8411	0.8411
Brugia malayi	3-oxo-5-alpha-steroid 4-dehydrogenase 1	0.0044	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0044	1	0.5
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.004	0.8411	0.8411
Onchocerca volvulus		0.004	0.8411	0.8411
Entamoeba histolytica	steroid 5-alpha reductase, putative	0.0044	1	1
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.004	0.8411	0.8411
Trichomonas vaginalis	synaptic glycoprotein sc2, putative	0.0044	1	0.5
Trypanosoma cruzi	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0044	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.004	0.8411	0.8411
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.004	0.8411	0.8411
Plasmodium falciparum	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0044	1	0.5
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.004	0.8411	0.8411
Loa Loa (eye worm)	GABA receptor subunit	0.0022	0.1209	0.1209
Echinococcus granulosus	glycine receptor subunit alpha 1	0.004	0.8411	0.8411
Mycobacterium ulcerans	hypothetical protein	0.0044	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0044	1	1
Entamoeba histolytica	hypothetical protein	0.0044	1	1
Echinococcus multilocularis	nAChR subunit	0.004	0.8411	0.8411
Loa Loa (eye worm)	hypothetical protein	0.0044	1	1
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.004	0.8411	0.8411
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.004	0.8411	0.8411
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.004	0.8411	0.8411
Toxoplasma gondii	3-oxo-5-alpha-steroid 4-dehydrogenase	0.0044	1	0.5
Schistosoma mansoni	nAChR subunit	0.004	0.8411	0.8411
Loa Loa (eye worm)	hypothetical protein	0.004	0.8411	0.8411
Trypanosoma cruzi	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0044	1	0.5
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.004	0.8411	0.8411
Echinococcus granulosus	glycine receptor subunit beta	0.004	0.8411	0.8411
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.004	0.8411	0.8411
Loa Loa (eye worm)	LGC-31 protein	0.004	0.8411	0.8411
Schistosoma mansoni	nAChR subunit	0.004	0.8411	0.8411
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.004	0.8411	0.8411
Echinococcus multilocularis	synaptic glycoprotein sc2	0.0044	1	1
Schistosoma mansoni	synaptic glycoprotein sc2 related	0.0044	1	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1209	0.1209
Trypanosoma brucei	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0044	1	0.5
Toxoplasma gondii	3-oxo-5-alpha-steroid 4-dehydrogenase	0.0044	1	0.5
Loa Loa (eye worm)	ACC-1 protein	0.004	0.8411	0.8411
Onchocerca volvulus		0.004	0.8411	0.8411
Trichomonas vaginalis	synaptic glycoprotein sc2, putative	0.0044	1	0.5
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.004	0.8411	0.8411
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1209	0.1209
Trichomonas vaginalis	synaptic glycoprotein sc2, putative	0.0044	1	0.5
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.004	0.8411	0.8411
Echinococcus multilocularis	3 oxo 5 alpha steroid 4 dehydrogenase, C terminal	0.0044	1	1
Onchocerca volvulus	Putative nachr subunit	0.004	0.8411	0.8411
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0044	1	0.5
Onchocerca volvulus		0.0022	0.1209	0.1209
Loa Loa (eye worm)	ACC-1 protein	0.004	0.8411	0.8411
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0044	1	0.5
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.004	0.8411	0.8411
Loa Loa (eye worm)	hypothetical protein	0.0044	1	1
Onchocerca volvulus		0.0022	0.1209	0.1209
Schistosoma mansoni	neurotransmitter gated ion channel	0.0022	0.1209	0.1209
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.004	0.8411	0.8411
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.004	0.8411	0.8411
Entamoeba histolytica	3-oxo-5-alpha-steroid 4-dehydrogenase domain-containing protein	0.0044	1	1
Echinococcus multilocularis	glycine receptor subunit beta	0.004	0.8411	0.8411
Echinococcus multilocularis	glycine receptor subunit beta	0.004	0.8411	0.8411
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.004	0.8411	0.8411
Brugia malayi	excitatory GABA receptor EXP-1A	0.004	0.8411	0.8411
Onchocerca volvulus		0.004	0.8411	0.8411
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.004	0.8411	0.8411
Onchocerca volvulus		0.004	0.8411	0.8411
Loa Loa (eye worm)	hypothetical protein	0.004	0.8411	0.8411
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.004	0.8411	0.8411
Onchocerca volvulus		0.0044	1	1
Brugia malayi	Cation transporter family protein	0.004	0.8411	0.8411
Echinococcus granulosus	glycine receptor subunit alpha 1	0.004	0.8411	0.8411
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.004	0.8411	0.8411
Plasmodium falciparum	polyprenol reductase, putative	0.0044	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.004	0.8411	0.8411
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.004	0.8411	0.8411
Schistosoma mansoni	nAChR subunit	0.004	0.8411	0.8411
Loa Loa (eye worm)	hypothetical protein	0.004	0.8411	0.8411
Loa Loa (eye worm)	hypothetical protein	0.004	0.8411	0.8411

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 24 uM	Inhibitory activity against human neuronal nitric oxide synthase (NOS-I)	ChEMBL.	12086480
IC50 (binding)	= 24 uM	Inhibitory activity against Nitric oxide synthase (derived from porcine brain cerebellum)	ChEMBL.	10514281
IC50 (binding)	= 24 uM	Inhibitory activity against human neuronal nitric oxide synthase (NOS-I)	ChEMBL.	12086480
IC50 (binding)	= 24 uM	Inhibitory activity against Nitric oxide synthase (derived from porcine brain cerebellum)	ChEMBL.	10514281
Vmax (binding)	= 39 %	Inhibitory activity of 100 uM of the compound against H4Bip (2 uM) stimulated nitric oxide synthase (NOS-I) total activity (derived from porcine brain cerebellum)	ChEMBL.	10514281
Vmax (binding)	= 39 %	Inhibitory activity of 100 uM of the compound against H4Bip (2 uM) stimulated nitric oxide synthase (NOS-I) total activity (derived from porcine brain cerebellum)	ChEMBL.	10514281

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: CHEMBL328830
PubChem: 10824083

Bibliographic References

2 literature references were 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 163434