TDR Targets

Basic information

Technical information

TDR Targets ID: 1552088
Name: 3-(3-nitrophenyl)-1,1-di(phenyl)urea
MW: 333.341 | Formula: C19H15N3O3
H donors: 1 H acceptors: 3 LogP: 4.05 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(N(c1ccccc1)c1ccccc1)Nc1cccc(c1)[N+](=O)[O-]
InChi: 1S/C19H15N3O3/c23-19(20-15-8-7-13-18(14-15)22(24)25)21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H,(H,20,23)
InChiKey: PIGALJKTGRVNON-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

NSC112712

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
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
Echinococcus multilocularis	guanine nucleotide binding protein G(s) 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
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
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
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

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %
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
Schistosoma mansoni	lipoxygenase	0.0041	0.0177	0.0179
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0125	0.4427	0.4474
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0912	0.0922
Mycobacterium tuberculosis	Beta-carbonic anhydrase CanB	0.0133	0.4813	0.4813
Brugia malayi	hypothetical protein	0.0041	0.0177	0.0329
Mycobacterium ulcerans	carbonic anhydrase	0.0235	0.9894	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0912	0.1699
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0125	0.4427	0.8247
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.5368	1
Echinococcus granulosus	lipoxygenase domain containing protein	0.0041	0.0177	0.0399
Brugia malayi	Doublecortin family protein	0.0041	0.0177	0.0329
Entamoeba histolytica	carbonic anhydrase, putative	0.0235	0.9894	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0101	0.3225	1
Echinococcus granulosus	carbonic anhydrase II	0.0125	0.4427	1
Echinococcus granulosus	Polycystic kidney disease protein	0.0041	0.0177	0.0399
Loa Loa (eye worm)	doublecortin family protein	0.0041	0.0177	0.0329
Leishmania major	carbonic anhydrase family protein, putative	0.0235	0.9894	1
Echinococcus multilocularis	RUN	0.0041	0.0177	0.0399
Plasmodium falciparum	LCCL domain-containing protein	0.0041	0.0177	0.5
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0125	0.4427	1
Toxoplasma gondii	ABC1 family protein	0.0037	0	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0912	0.206
Loa Loa (eye worm)	carbonic anhydrase 3	0.0125	0.4427	0.8247
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0041	0.0177	0.0399
Mycobacterium ulcerans	carbonic anhydrase	0.0101	0.3225	0.326
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0912	0.1699
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.5368	1
Plasmodium vivax	multidomain scavenger receptor, putative	0.0041	0.0177	1
Echinococcus multilocularis	carbonic anhydrase II	0.0125	0.4427	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0912	0.0922
Echinococcus granulosus	lipoxygenase domain containing protein	0.0041	0.0177	0.0399
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0125	0.4427	1
Mycobacterium leprae	CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)	0.0235	0.9894	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0912	0.206
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0912	0.206
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0125	0.4427	0.8247
Mycobacterium tuberculosis	Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase)	0.0101	0.3225	0.3225
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0912	0.206
Leishmania major	carbonic anhydrase-like protein	0.0125	0.4427	0.4474
Trichomonas vaginalis	conserved hypothetical protein	0.0101	0.3225	1
Schistosoma mansoni	polycystin 1-related	0.0041	0.0177	0.0179
Trypanosoma brucei	carbonic anhydrase-like protein	0.0125	0.4427	1
Schistosoma mansoni	carbonic anhydrase	0.0235	0.9894	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0177	0.0329
Schistosoma mansoni	hypothetical protein	0.0041	0.0177	0.0179
Schistosoma mansoni	rab6-interacting	0.0041	0.0177	0.0179
Schistosoma mansoni	rab6-interacting	0.0041	0.0177	0.0179
Echinococcus granulosus	RUN	0.0041	0.0177	0.0399
Echinococcus multilocularis	Polycystic kidney disease protein	0.0041	0.0177	0.0399
Onchocerca volvulus		0.0041	0.0177	1
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0125	0.4427	0.8247
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0177	0.0329
Schistosoma mansoni	loxhd1	0.0041	0.0177	0.0179
Brugia malayi	MH2 domain containing protein	0.0144	0.5368	1
Brugia malayi	hypothetical protein	0.0041	0.0177	0.0329
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0041	0.0177	0.0399
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0912	0.0922
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0125	0.4427	0.4474
Onchocerca volvulus		0.0041	0.0177	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	3.1623 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)	8.9125 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (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: CHEMBL1880908

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 1552088