Detailed information for compound 1552088

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  


Substructure search Similarity search

Network

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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
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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 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
Loa Loa (eye worm) transcription factor SMAD2 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
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
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
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) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
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
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 %
Obtained from network model

Ranking Plot

Putative Targets List

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

Bibliographic References

No literature references available for this target.

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