Detailed information for compound 1859758

Basic information

Technical information
  • TDR Targets ID: 1859758
  • Name: 2,2-di(phenyl)-N-[[(E)-3-phenylprop-2-enylide ne]amino]cyclopropane-1-carboxamide
  • MW: 366.455 | Formula: C25H22N2O
  • H donors: 1 H acceptors: 1 LogP: 5.12 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CC1(c1ccccc1)c1ccccc1)N/N=C/C=C/c1ccccc1
  • InChi: 1S/C25H22N2O/c28-24(27-26-18-10-13-20-11-4-1-5-12-20)23-19-25(23,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-18,23H,19H2,(H,27,28)/b13-10+,26-18+
  • InChiKey: KISNQLLWPPTQMN-NQOJKJTGSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2,2-di(phenyl)-N-(3-phenylprop-2-enylideneamino)cyclopropane-1-carboxamide
  • 2,2-di(phenyl)-N-[[(E)-3-phenylprop-2-enylidene]amino]-1-cyclopropanecarboxamide
  • 2,2-di(phenyl)-N-(3-phenylprop-2-enylideneamino)-1-cyclopropanecarboxamide
  • 2,2-diphenyl-N'-(3-phenyl-2-propen-1-ylidene)cyclopropanecarbohydrazide
  • MLS000532348
  • CBDivE_011015
  • SMR000137307

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 1 0.5
Brugia malayi nuclear hormone receptor 0.0012 1 0.5
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.001 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 1 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.0012 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 1 0.5
Schistosoma mansoni thyroid hormone receptor 0.0012 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 1 0.5
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.001 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 1 0.5
Echinococcus multilocularis FTZ F1 alpha 0.0012 1 1
Onchocerca volvulus 0.0012 1 0.5
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 1 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 1 0.5
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 1 1
Schistosoma mansoni thyroid hormone receptor 0.0012 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 1 0.5
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 1 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 1 0.5
Brugia malayi steroid hormone receptor 0.0012 1 0.5
Schistosoma mansoni nuclear hormone receptor 0.0012 1 1
Mycobacterium ulcerans bacterioferritin BfrA 0.001 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 1 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 1 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 1 1
Brugia malayi Steroid receptor seven-up type 2 0.0012 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 1 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.0012 1 1
Echinococcus granulosus FTZ F1 alpha 0.0012 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0012 1 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 1 0.5
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 1 0.5
Loa Loa (eye worm) steroid hormone receptor 0.0012 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 1 0.5
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 1 0.5
Mycobacterium tuberculosis Bacterioferritin BfrB 0.001 0 0.5
Schistosoma mansoni RAR-like nuclear receptor 0.0012 1 1
Treponema pallidum bacterioferrin (TpF1) 0.001 0 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 1 1
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.001 0 0.5
Schistosoma mansoni coup transcription factor 0.0012 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 1 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 1 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 1 1
Mycobacterium ulcerans bacterioferritin BfrB 0.001 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 1 0.5
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 1 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 1 0.5
Onchocerca volvulus Bile acid receptor homolog 0.0012 1 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 1 0.5
Trichomonas vaginalis ferritin, putative 0.001 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 1 0.5
Brugia malayi nuclear receptor NHR-88 0.0012 1 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5878 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO-2 (15-human lipoxygenase 2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2312, AID2537, AID2702] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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