TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 474.168 | Formula: C19H16Cl4N4O2
H donors: 2 H acceptors: 2 LogP: 4.86 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: O=C(NN=Cc1ccc(cc1Cl)Cl)CCCC(=O)NN=Cc1ccc(cc1Cl)Cl
InChi: 1S/C19H16Cl4N4O2/c20-14-6-4-12(16(22)8-14)10-24-26-18(28)2-1-3-19(29)27-25-11-13-5-7-15(21)9-17(13)23/h4-11H,1-3H2,(H,26,28)(H,27,29)
InChiKey: DMLPHPLQJKSBAU-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

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 multilocularis	guanine nucleotide binding protein G(s) 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
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	GTP-binding regulatory protein Gs alpha-S chain, putative	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
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
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	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
Leishmania major	histone deacetylase, putative	0.0059	0.0261	1
Plasmodium falciparum	perforin-like protein 2	0.0133	0.0788	0.4109
Echinococcus multilocularis	histone deacetylase	0.0059	0.0261	0.0128
Echinococcus multilocularis	macrophage expressed protein	0.1204	0.8375	0.8353
Mycobacterium ulcerans	NADH dehydrogenase I subunit F	0.0041	0.0135	0.5
Trypanosoma brucei	histone deacetylase 4	0.0059	0.0261	1
Trypanosoma brucei	histone deacetylase 3	0.0059	0.0261	1
Loa Loa (eye worm)	histone deacetylase	0.0059	0.0261	0.0898
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0236	0.0102
Echinococcus granulosus	lipoxygenase domain containing protein	0.024	0.1542	0.1426
Plasmodium vivax	perforin-like protein 1	0.0133	0.0788	0.4109
Trichomonas vaginalis	NADH-ubiquinone oxidoreductase flavoprotein, putative	0.0041	0.0135	0.5
Echinococcus multilocularis	lipoxygenase domain containing protein	0.024	0.1542	0.1426
Chlamydia trachomatis	hypothetical protein	0.0133	0.0788	0.5
Echinococcus multilocularis	histone deacetylase 6	0.0059	0.0261	0.0128
Plasmodium falciparum	LCCL domain-containing protein	0.024	0.1542	1
Onchocerca volvulus		0.024	0.1542	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0236	0.0716
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0136	0.0007
Schistosoma mansoni	lipoxygenase	0.1433	1	1
Trypanosoma brucei	histone deacetylase, putative	0.0059	0.0261	1
Plasmodium vivax	perforin-like protein 4	0.0133	0.0788	0.4109
Schistosoma mansoni	histone deacetylase 4 5	0.0059	0.0261	0.0128
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0236	0.0102
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0236	0.0102
Schistosoma mansoni	polycystin 1-related	0.024	0.1542	0.1426
Loa Loa (eye worm)	hypothetical protein	0.024	0.1542	1
Echinococcus granulosus	Polycystic kidney disease protein	0.024	0.1542	0.1426
Echinococcus multilocularis	Polycystic kidney disease protein	0.024	0.1542	0.1426
Schistosoma mansoni	loxhd1	0.024	0.1542	0.1426
Schistosoma mansoni	hypothetical protein	0.1204	0.8375	0.8353
Trypanosoma cruzi	histone deacetylase, putative	0.0059	0.0261	1
Plasmodium vivax	multidomain scavenger receptor, putative	0.024	0.1542	1
Plasmodium falciparum	perforin-like protein 1	0.0133	0.0788	0.4109
Mycobacterium tuberculosis	Probable NADH dehydrogenase I (chain F) NuoF (NADH-ubiquinone oxidoreductase chain F)	0.0041	0.0135	0.5
Schistosoma mansoni	lipoxygenase	0.1002	0.6944	0.6902
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0236	0.0102
Loa Loa (eye worm)	hypothetical protein	0.024	0.1542	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0236	0.0102
Echinococcus multilocularis	histone deacetylase 7	0.0059	0.0261	0.0128
Wolbachia endosymbiont of Brugia malayi	NADH dehydrogenase I subunit F	0.0041	0.0135	0.5
Echinococcus granulosus	histone deacetylase 6	0.0059	0.0261	0.0128
Echinococcus granulosus	macrophage expressed protein	0.1204	0.8375	0.8353
Echinococcus granulosus	lipoxygenase domain containing protein	0.024	0.1542	0.1426
Loa Loa (eye worm)	doublecortin family protein	0.024	0.1542	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0136	0.0007
Brugia malayi	Doublecortin family protein	0.024	0.1542	1
Schistosoma mansoni	rab6-interacting	0.024	0.1542	0.1426
Echinococcus multilocularis	histone deacetylase 6	0.0059	0.0261	0.0128
Loa Loa (eye worm)	histone deacetylase 7A	0.0059	0.0261	0.0898
Trypanosoma cruzi	histone deacetylase, putative	0.0059	0.0261	1
Trichomonas vaginalis	NADH-ubiquinone oxidoreductase flavoprotein, putative	0.0041	0.0135	0.5
Plasmodium falciparum	perforin-like protein 4	0.0133	0.0788	0.4109
Echinococcus granulosus	histone deacetylase 7	0.0059	0.0261	0.0128
Plasmodium vivax	perforin-like protein 3	0.0133	0.0788	0.4109
Echinococcus granulosus	histone deacetylase 6	0.0059	0.0261	0.0128
Echinococcus multilocularis	RUN	0.024	0.1542	0.1426
Brugia malayi	Histone deacetylase family protein	0.0059	0.0261	0.0898
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0236	0.0102
Toxoplasma gondii	MAC/Perforin domain-containing protein	0.0133	0.0788	1
Echinococcus granulosus	RUN	0.024	0.1542	0.1426
Echinococcus granulosus	histone deacetylase	0.0059	0.0261	0.0128
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0236	0.0102
Schistosoma mansoni	rab6-interacting	0.024	0.1542	0.1426
Echinococcus multilocularis	histone deacetylase 6	0.0059	0.0261	0.0128
Schistosoma mansoni	hypothetical protein	0.024	0.1542	0.1426
Plasmodium falciparum	perforin-like protein 3	0.0133	0.0788	0.4109
Schistosoma mansoni	histone deacetylase hda2	0.0059	0.0261	0.0128
Trypanosoma cruzi	histone deacetylase, putative	0.0059	0.0261	1
Leishmania major	histone deacetylase, putative	0.0059	0.0261	1
Brugia malayi	Histone deacetylase family protein	0.0059	0.0261	0.0898
Echinococcus multilocularis	lipoxygenase domain containing protein	0.024	0.1542	0.1426
Brugia malayi	hypothetical protein	0.024	0.1542	1
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.1433	1	1
Toxoplasma gondii	perforin-like protein PLP1	0.0133	0.0788	1
Echinococcus granulosus	histone deacetylase 6	0.0059	0.0261	0.0128
Plasmodium vivax	perforin-like protein 5	0.0133	0.0788	0.4109
Plasmodium vivax	perforin-like protein 2	0.0133	0.0788	0.4109
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0236	0.0716
Brugia malayi	hypothetical protein	0.024	0.1542	1
Onchocerca volvulus		0.024	0.1542	1
Schistosoma mansoni	histone deacetylase 4 5	0.0059	0.0261	0.0128
Plasmodium falciparum	perforin-like protein 5	0.0133	0.0788	0.4109

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	125.8925 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273]	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: CHEMBL1881904

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 1549266