TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 253.302 | Formula: C14H15N5
H donors: 0 H acceptors: 2 LogP: 2.51 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: N#Cc1cnn(c1/N=C/N(C)C)c1ccc(cc1)C
InChi: 1S/C14H15N5/c1-11-4-6-13(7-5-11)19-14(16-10-18(2)3)12(8-15)9-17-19/h4-7,9-10H,1-3H3/b16-10+
InChiKey: SSWJPXMGKXDBFZ-MHWRWJLKSA-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Homo sapiens	survival of motor neuron 2, centromeric	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873
Echinococcus multilocularis	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Entamoeba histolytica	adenosylhomocysteinase, putative	0.0706	0.4643	1
Trichomonas vaginalis	adenosylhomocysteinase, putative	0.0222	0.1304	0.2757
Toxoplasma gondii	histone lysine-specific demethylase	0.0104	0.0497	0.1004
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0104	0.0497	0.1004
Trichomonas vaginalis	dihydropyrimidine dehydrogenase, putative	0.0066	0.023	0.0426
Entamoeba histolytica	fatty acid elongase, putative	0.013	0.0671	0.1382
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0066	0.023	0.0426
Mycobacterium ulcerans	3-oxoacyl-ACP synthase	0.0999	0.6659	0.6485
Entamoeba histolytica	fatty acid elongase, putative	0.013	0.0671	0.1382
Echinococcus multilocularis		0.0104	0.0497	0.1004
Schistosoma mansoni	hypothetical protein	0.0041	0.006	0.0058
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.1484	1	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.006	0.013
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0192	0.0342
Entamoeba histolytica	fatty acid elongase, putative	0.013	0.0671	0.1382
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0157	0.0268
Brugia malayi	SWIRM domain containing protein	0.0104	0.0497	0.1004
Schistosoma mansoni	amine oxidase	0.0104	0.0497	0.1004
Echinococcus multilocularis	protoporphyrinogen oxidase	0.0104	0.0497	0.1004
Mycobacterium ulcerans	S-adenosyl-L-homocysteine hydrolase	0.0706	0.4643	0.4363
Plasmodium falciparum	lysine-specific histone demethylase 1, putative	0.0104	0.0497	0.0699
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.0104	0.0497	0.1004
Mycobacterium leprae	Probable dihydroorotate dehydrogenase PyrD	0.0169	0.0938	0.1065
Schistosoma mansoni	dihydroorotate dehydrogenase	0.0169	0.0938	0.1962
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.0104	0.0497	0.1004
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0157	0.0268
Brugia malayi	Adenosylhomocysteinase	0.0706	0.4643	1
Trichomonas vaginalis	adenosylhomocysteinase, putative	0.0706	0.4643	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0157	0.0268
Brugia malayi	hypothetical protein	0.0286	0.1744	0.3711
Echinococcus granulosus	survival motor neuron protein 1	0.0286	0.1744	0.3711
Toxoplasma gondii	dihydroorotate dehydrogenase reveal, putative	0.0169	0.0938	0.1962
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0066	0.023	0.0426
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0497	0.107
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.0104	0.0497	0.1004
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.0169	0.0938	0.1962
Mycobacterium tuberculosis	Probable adenosylhomocysteinase SahH (S-adenosyl-L-homocysteine hydrolase) (adohcyase)	0.0706	0.4643	0.4721
Mycobacterium leprae	putative S-adenosyl-L-homocysteine hydrolase SahH	0.0706	0.4643	1
Toxoplasma gondii	S-Adenosyl homocysteine hydrolase	0.0706	0.4643	1
Chlamydia trachomatis	oxoacyl-ACP synthase III	0.0999	0.6659	1
Echinococcus multilocularis	adenosylhomocysteinase	0.0706	0.4643	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.006	0.0058
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0157	0.0268
Plasmodium vivax	hypothetical protein, conserved	0.0104	0.0497	0.0699
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0066	0.023	0.0426
Plasmodium vivax	dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.0169	0.0938	0.1365
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.0066	0.023	0.0426
Trypanosoma cruzi	dihydroorotate dehydrogenase (fumarate), putative	0.0169	0.0938	0.1962
Plasmodium vivax	beta-ketoacyl-acyl carrier protein synthase III precursor, putative	0.0999	0.6659	1
Brugia malayi	Dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.0169	0.0938	0.1962
Plasmodium vivax	adenosylhomocysteinase(S-adenosyl-L-homocystein e hydrolase), putative	0.0706	0.4643	0.6957
Plasmodium falciparum	dihydroorotate dehydrogenase	0.0169	0.0938	0.1365
Leishmania major	UDP-galactopyranose mutase	0.0104	0.0497	0.1004
Loa Loa (eye worm)	hypothetical protein	0.006	0.0192	0.0413
Schistosoma mansoni	adenosylhomocysteinase	0.0437	0.2788	0.5976
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0058	0.0178	0.0313
Plasmodium falciparum	adenosylhomocysteinase	0.0706	0.4643	0.6957
Onchocerca volvulus		0.0104	0.0497	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0192	0.0413
Brugia malayi	amine oxidase, flavin-containing family protein	0.0104	0.0497	0.1004
Echinococcus granulosus	adenosylhomocysteinase	0.0706	0.4643	1
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0497	0.107
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.0066	0.023	0.0426
Trypanosoma brucei	S-adenosylhomocysteine hydrolase, putative	0.0706	0.4643	1
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0497	0.107
Toxoplasma gondii	adenosylhomocysteinase, putative	0.0706	0.4643	1
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.0066	0.023	0.0426
Plasmodium vivax	hypothetical protein, conserved	0.0104	0.0497	0.0699
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0066	0.023	0.0426
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0104	0.0497	0.1004
Mycobacterium ulcerans	dihydroorotate dehydrogenase 2	0.0169	0.0938	0.0464
Mycobacterium tuberculosis	3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III)	0.0999	0.6659	0.7016
Schistosoma mansoni	adenosylhomocysteinase	0.0437	0.2788	0.5976
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0192	0.0342
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0104	0.0497	0.0699
Plasmodium falciparum	beta-ketoacyl-ACP synthase III	0.0999	0.6659	1
Entamoeba histolytica	fatty acid elongase, putative	0.013	0.0671	0.1382
Schistosoma mansoni	adenosylhomocysteinase	0.0437	0.2788	0.5976
Schistosoma mansoni	hypothetical protein	0.0058	0.0178	0.0313
Brugia malayi	hypothetical protein	0.0104	0.0497	0.1004
Trypanosoma cruzi	S-adenosylhomocysteine hydrolase, putative	0.0706	0.4643	1
Plasmodium falciparum	protoporphyrinogen oxidase	0.0104	0.0497	0.0699
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0066	0.023	0.0426
Mycobacterium ulcerans	3-oxoacyl-ACP synthase	0.0999	0.6659	0.6485
Leishmania major	S-adenosylhomocysteine hydrolase	0.0706	0.4643	1
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0497	0.107
Leishmania major	dihydroorotate dehydrogenase	0.0169	0.0938	0.1962
Plasmodium vivax	lysine-specific histone demethylase 1, putative	0.0104	0.0497	0.0699
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0497	0.107
Entamoeba histolytica	dihydropyrimidine dehydrogenase, putative	0.0066	0.023	0.0426
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0497	0.107
Schistosoma mansoni	adenosylhomocysteinase	0.0437	0.2788	0.5976
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0104	0.0497	0.1004
Brugia malayi	Dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.0169	0.0938	0.1962
Mycobacterium ulcerans	beta-ketoacyl synthase-like protein	0.0999	0.6659	0.6485
Loa Loa (eye worm)	adenosylhomocysteinase	0.0706	0.4643	1
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.1379	0.928	1
Schistosoma mansoni	adenosylhomocysteinase	0.0706	0.4643	1
Schistosoma mansoni	amine oxidase	0.0104	0.0497	0.1004
Echinococcus multilocularis	survival motor neuron protein 1	0.0286	0.1744	0.3711
Mycobacterium tuberculosis	Probable dihydroorotate dehydrogenase PyrD	0.0169	0.0938	0.0503
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0157	0.0339
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0157	0.0268
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0104	0.0497	0.1004
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0157	0.0268
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.0066	0.023	0.0426
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0157	0.0268
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.0066	0.023	0.0426
Plasmodium vivax	protoporphyrinogen oxidase, putative	0.0104	0.0497	0.0699
Brugia malayi	Zinc finger, C2H2 type family protein	0.0066	0.023	0.0426
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.0169	0.0938	0.1962
Entamoeba histolytica	fatty acid elongase, putative	0.013	0.0671	0.1382
Trypanosoma brucei	dihydroorotate dehydrogenase (fumarate)	0.0169	0.0938	0.1962
Trypanosoma cruzi	S-adenosylhomocysteine hydrolase, putative	0.0706	0.4643	1
Wolbachia endosymbiont of Brugia malayi	3-oxoacyl-ACP synthase	0.0999	0.6659	1
Loa Loa (eye worm)	hypothetical protein	0.0286	0.1744	0.3757
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0157	0.0268
Schistosoma mansoni	survival motor neuron protein	0.0058	0.0178	0.0313
Trichomonas vaginalis	adenosylhomocysteinase, putative	0.0706	0.4643	1
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.0104	0.0497	0.1004

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.7943 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	1.9953 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 8.9125 um	PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference
Potency (functional)	70.7946 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference

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: CHEMBL3213119
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Bibliographic References

No literature references available for this target.

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Detailed information for compound 909977