TDR Targets

Basic information

Technical information

TDR Targets ID: 1434009
Name: BAS 02718170
MW: 206.201 | Formula: C9H10N4O2
H donors: 2 H acceptors: 3 LogP: -0.7 Rotable bonds: 0
Rule of 5 violations (Lipinski): 1
SMILES: O=C1CNC(=O)c2c(N1)nc1n2CCC1
InChi: 1S/C9H10N4O2/c14-6-4-10-9(15)7-8(12-6)11-5-2-1-3-13(5)7/h1-4H2,(H,10,15)(H,12,14)
InChiKey: JUBMMBDNPNELAP-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

STOCK1N-57777
ZINC00331371
Oprea1_002990
2,3,5,6-Tetrahydro-1H,8H-3a,5,8,9-tetraaza-cyclopenta[a]azulene-4,7-dione
MLS000030828
SMR000011419
Oprea1_441160

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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	guanine nucleotide binding protein Gs subunit	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
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)	GTP-binding regulatory protein Gs alpha-S chain	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
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, 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 multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088

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 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0118	0.1089	0.9121
Schistosoma mansoni	nAChR subunit	0.0118	0.1089	0.9121
Schistosoma mansoni	nicotinic acetylcholine receptor alpha	0.0063	0.0142	0.1192
Echinococcus granulosus	nAChR subunit	0.0063	0.0142	0.1192
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0118	0.1089	0.9121
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0113	0.1002	0.5
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0118	0.1089	0.1089
Loa Loa (eye worm)	hypothetical protein	0.0118	0.1089	0.1089
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0118	0.1089	0.9121
Loa Loa (eye worm)	ACC-1 protein	0.0118	0.1089	0.1089
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0118	0.1089	0.1089
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0118	0.1089	0.1089
Loa Loa (eye worm)	ACC-1 protein	0.0118	0.1089	0.1089
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0142	0.0142
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0063	0.0142	0.0142
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0118	0.1089	0.9121
Onchocerca volvulus		0.0118	0.1089	1
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0118	0.1089	0.1089
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0118	0.1089	0.9121
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0118	0.1089	0.9121
Loa Loa (eye worm)	hypothetical protein	0.0118	0.1089	0.1089
Schistosoma mansoni	nAChR subunit	0.0118	0.1089	0.9121
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0118	0.1089	0.9121
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0118	0.1089	0.9121
Schistosoma mansoni	nAChR subunit	0.0118	0.1089	0.9121
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0118	0.1089	0.1089
Brugia malayi	excitatory GABA receptor EXP-1A	0.0118	0.1089	0.1089
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0118	0.1089	0.1089
Loa Loa (eye worm)	cytochrome P450 family protein	0.0407	0.6134	0.6134
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0118	0.1089	0.9121
Brugia malayi	Cytochrome P450 family protein	0.0239	0.3197	0.3197
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0118	0.1089	0.9121
Loa Loa (eye worm)	hypothetical protein	0.0118	0.1089	0.1089
Mycobacterium leprae	putative cytochrome p450	0.0113	0.1002	0.5
Brugia malayi	Cytochrome P450 family protein	0.0239	0.3197	0.3197
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0118	0.1089	0.1089
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0063	0.0142	0.0142
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0118	0.1089	0.9121
Loa Loa (eye worm)	hypothetical protein	0.0118	0.1089	0.1089
Echinococcus multilocularis		0.0113	0.1002	0.839
Echinococcus multilocularis	glycine receptor subunit beta	0.0118	0.1089	0.9121
Onchocerca volvulus	Putative nachr subunit	0.0118	0.1089	1
Schistosoma mansoni	neurotransmitter gated ion channel	0.0063	0.0142	0.1192
Loa Loa (eye worm)	cytochrome P450 family protein	0.0239	0.3197	0.3197
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0118	0.1089	0.9121
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0118	0.1089	0.9121
Schistosoma mansoni	cytochrome P450	0.0113	0.1002	0.839
Loa Loa (eye worm)	hypothetical protein	0.0118	0.1089	0.1089
Loa Loa (eye worm)	CYP4Cod1	0.0239	0.3197	0.3197
Schistosoma mansoni	nAChR subunit	0.0118	0.1089	0.9121
Onchocerca volvulus		0.0118	0.1089	1
Loa Loa (eye worm)	hypothetical protein	0.0118	0.1089	0.1089
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0118	0.1089	0.9121
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.029	0.4086	1
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0124	0.1194	1
Onchocerca volvulus		0.0118	0.1089	1
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0118	0.1089	0.1089
Echinococcus multilocularis	glycine receptor subunit beta	0.0118	0.1089	0.9121
Loa Loa (eye worm)	hypothetical protein	0.0574	0.9053	0.9053
Loa Loa (eye worm)	hypothetical protein	0.0118	0.1089	0.1089
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0142	0.0142
Echinococcus granulosus	nAChR subunit	0.0118	0.1089	0.9121
Trypanosoma cruzi	cytochrome P450, putative	0.0239	0.3197	1
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0063	0.0142	0.0142
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0118	0.1089	0.9121
Echinococcus multilocularis	nAChR subunit	0.0118	0.1089	0.9121
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0118	0.1089	0.9121
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0118	0.1089	0.1089
Trypanosoma cruzi	cytochrome P450, putative	0.0239	0.3197	1
Schistosoma mansoni	lipoxygenase	0.0124	0.1194	1
Loa Loa (eye worm)	hypothetical protein	0.0118	0.1089	0.1089
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0142	0.0142
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0118	0.1089	0.1089
Echinococcus granulosus	glycine receptor subunit beta	0.0118	0.1089	0.9121
Schistosoma mansoni	hypothetical protein	0.0113	0.1002	0.839
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0118	0.1089	0.1089
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0142	0.0142
Brugia malayi	cytochrome P450	0.0113	0.1002	0.1002
Loa Loa (eye worm)	GABA receptor subunit	0.0063	0.0142	0.0142
Echinococcus granulosus	glycine receptor subunit beta	0.0118	0.1089	0.9121
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0118	0.1089	0.9121
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0118	0.1089	0.1089
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0124	0.1194	1
Loa Loa (eye worm)	cytochrome P450	0.0113	0.1002	0.1002
Echinococcus granulosus	cytochrome P450 2K1	0.0113	0.1002	0.839
Loa Loa (eye worm)	hypothetical protein	0.0629	1	1
Loa Loa (eye worm)	hypothetical protein	0.0118	0.1089	0.1089
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0118	0.1089	0.9121
Brugia malayi	Cation transporter family protein	0.0118	0.1089	0.1089
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0118	0.1089	0.9121
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0118	0.1089	0.1089
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0118	0.1089	0.1089
Brugia malayi	Cytochrome P450 family protein	0.0113	0.1002	0.1002
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0118	0.1089	0.9121
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0118	0.1089	0.1089
Loa Loa (eye worm)	hypothetical protein	0.0118	0.1089	0.1089
Loa Loa (eye worm)	hypothetical protein	0.0118	0.1089	0.1089
Entamoeba histolytica	hypothetical protein	0.0063	0.0142	0.5
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0142	0.0142
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0063	0.0142	0.1192
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0118	0.1089	0.9121
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0118	0.1089	0.1089
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0118	0.1089	0.1089
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0118	0.1089	0.1089
Schistosoma mansoni	lipoxygenase	0.0086	0.0545	0.4563
Trypanosoma brucei	cytochrome P450, putative	0.0239	0.3197	1
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0311	0.4469	1
Loa Loa (eye worm)	hypothetical protein	0.0126	0.1232	0.1232
Loa Loa (eye worm)	hypothetical protein	0.0118	0.1089	0.1089
Mycobacterium leprae	Conserved hypothetical protein	0.0113	0.1002	0.5
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0142	0.0142
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0063	0.0142	0.0142
Loa Loa (eye worm)	LGC-31 protein	0.0118	0.1089	0.1089
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0118	0.1089	0.9121
Loa Loa (eye worm)	hypothetical protein	0.0118	0.1089	0.1089
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0118	0.1089	0.9121
Echinococcus multilocularis	nAChR subunit	0.0063	0.0142	0.1192
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0118	0.1089	0.1089
Leishmania major	cytochrome p450-like protein	0.0239	0.3197	1
Loa Loa (eye worm)	hypothetical protein	0.0118	0.1089	0.1089
Brugia malayi	Cytochrome P450 family protein	0.0407	0.6134	0.6134
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0142	0.0142
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0118	0.1089	0.9121
Onchocerca volvulus		0.0118	0.1089	1
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0118	0.1089	0.9121
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0118	0.1089	0.1089
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0118	0.1089	0.9121
Loa Loa (eye worm)	cytochrome P450 family protein	0.0239	0.3197	0.3197
Loa Loa (eye worm)	hypothetical protein	0.0118	0.1089	0.1089
Schistosoma mansoni	nAChR subunit	0.0118	0.1089	0.9121
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0118	0.1089	0.9121
Loa Loa (eye worm)	hypothetical protein	0.0118	0.1089	0.1089
Loa Loa (eye worm)	hypothetical protein	0.0118	0.1089	0.1089
Onchocerca volvulus		0.0118	0.1089	1
Onchocerca volvulus		0.0118	0.1089	1
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0142	0.0142
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0311	0.4469	1
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0118	0.1089	0.1089
Schistosoma mansoni	nAChR subunit	0.0118	0.1089	0.9121
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0239	0.3197	0.6332
Brugia malayi	Cation transporter family protein	0.0118	0.1089	0.1089
Brugia malayi	Cation transporter family protein	0.0118	0.1089	0.1089
Schistosoma mansoni	nAChR subunit	0.0118	0.1089	0.9121
Loa Loa (eye worm)	hypothetical protein	0.0118	0.1089	0.1089

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	17.7828 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)	84.9214 uM	PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	100 uM	PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory)	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: CHEMBL1581461

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1434009