Detailed information for compound 1582061

Basic information

Technical information
  • TDR Targets ID: 1582061
  • Name: 2-[(3-nitrophenyl)amino]-1,2-di(phenyl)ethano ne
  • MW: 332.353 | Formula: C20H16N2O3
  • H donors: 1 H acceptors: 3 LogP: 4.84 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(c1ccccc1)Nc1cccc(c1)[N+](=O)[O-])c1ccccc1
  • InChi: 1S/C20H16N2O3/c23-20(16-10-5-2-6-11-16)19(15-8-3-1-4-9-15)21-17-12-7-13-18(14-17)22(24)25/h1-14,19,21H
  • InChiKey: YLWJYIVUFNWQDI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • NSC76685
  • NCIOpen2_008552

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens RAN, member RAS oncogene family No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens karyopherin (importin) beta 1 No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens snurportin 1 No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.0403 0.0403
Echinococcus granulosus carnitine O palmitoyltransferase 2 0.1786 0.2126 0.3728
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0104 0.0076 0.0129
Entamoeba histolytica hypothetical protein 0.0043 0.0003 0.5
Loa Loa (eye worm) carnitine O-palmitoyltransferase I isoform 0.105 0.1229 0.1229
Brugia malayi Metabotropic glutamate receptor precursor. 0.0124 0.0101 0.0101
Onchocerca volvulus 0.105 0.1229 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0023 0.0023
Schistosoma mansoni hypothetical protein 0.0372 0.0403 0.3277
Leishmania major carnitine palmitoyltransferase-like protein 0.1786 0.2126 0.2007
Echinococcus multilocularis geminin 0.0205 0.0199 0.0345
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0003 0.0023
Brugia malayi metabotropic glutamate receptor type 2 0.006 0.0023 0.0023
Schistosoma mansoni hypothetical protein 0.0043 0.0003 0.0023
Schistosoma mansoni hypothetical protein 0.0205 0.0199 0.1621
Brugia malayi Choline O-acetyltransferase 0.105 0.1229 0.1229
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.1786 0.2126 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0023 0.0023
Loa Loa (eye worm) choline O-acetyltransferase 0.105 0.1229 0.1229
Schistosoma mansoni hypothetical protein 0.0205 0.0199 0.1621
Loa Loa (eye worm) hypothetical protein 0.006 0.0023 0.0023
Loa Loa (eye worm) hypothetical protein 0.105 0.1229 0.1229
Brugia malayi Choline O-acetyltransferase 0.105 0.1229 0.1229
Echinococcus multilocularis carnitine O palmitoyltransferase 2 0.1786 0.2126 0.3728
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0023 0.0023
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.1786 0.2126 0.2126
Echinococcus granulosus choline O acetyltransferase 0.105 0.1229 0.2153
Entamoeba histolytica hypothetical protein 0.0043 0.0003 0.5
Echinococcus multilocularis snurportin 1 0.0372 0.0403 0.0702
Loa Loa (eye worm) glutamate receptor 0.0124 0.0101 0.0101
Onchocerca volvulus 0.105 0.1229 0.5
Echinococcus granulosus carnitine O palmitoyltransferase 1 liver 0.4717 0.5698 1
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.4717 0.5698 1
Loa Loa (eye worm) choline/Carnitine O-acyltransferase 0.1786 0.2126 0.2126
Brugia malayi hypothetical protein 0.0043 0.0003 0.0003
Leishmania major choline/Carnitine o-acyltransferase-like protein 0.4717 0.5698 1
Echinococcus granulosus snurportin 1 0.0372 0.0403 0.0702
Loa Loa (eye worm) hypothetical protein 0.0153 0.0136 0.0136
Loa Loa (eye worm) hypothetical protein 0.8247 1 1
Entamoeba histolytica hypothetical protein 0.0043 0.0003 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.0003 0.5
Onchocerca volvulus 0.105 0.1229 0.5
Onchocerca volvulus 0.105 0.1229 0.5
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.105 0.1229 0.1229
Schistosoma mansoni metabotropic glutamate receptor 0.0104 0.0076 0.0621
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0112 0.0087 0.0087
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.4717 0.5698 1
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0141 0.0122 0.0989
Schistosoma mansoni choline o-acyltransferase 0.105 0.1229 1
Echinococcus granulosus geminin 0.0205 0.0199 0.0345
Loa Loa (eye worm) glutamate receptor 0.0049 0.0009 0.0009
Echinococcus multilocularis carnitine O palmitoyltransferase 1, liver 0.4717 0.5698 1
Echinococcus granulosus metabotropic glutamate receptor 2 0.0104 0.0076 0.0129
Echinococcus granulosus metabotropic glutamate receptor 5 0.0153 0.0136 0.0233
Brugia malayi RNA, U transporter 1 0.0099 0.0071 0.0071
Echinococcus multilocularis choline O acetyltransferase 0.105 0.1229 0.2153
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0153 0.0136 0.0233
Trypanosoma cruzi carnitine O-palmitoyltransferase II, putative 0.1786 0.2126 0.2007
Schistosoma mansoni metabotropic glutamate receptor 0.006 0.0023 0.0191
Schistosoma mansoni choline o-acyltransferase 0.105 0.1229 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.1095 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.1095 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 5.6234 uM PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 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) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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