Detailed information for compound 1533036

Basic information

Technical information
  • TDR Targets ID: 1533036
  • Name: 3-(cyclopropanecarbonylamino)-N-(2-phenylethy l)benzamide
  • MW: 308.374 | Formula: C19H20N2O2
  • H donors: 2 H acceptors: 2 LogP: 2.79 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CC1)Nc1cccc(c1)C(=O)NCCc1ccccc1
  • InChi: 1S/C19H20N2O2/c22-18(20-12-11-14-5-2-1-3-6-14)16-7-4-8-17(13-16)21-19(23)15-9-10-15/h1-8,13,15H,9-12H2,(H,20,22)(H,21,23)
  • InChiKey: SLVYPQFTISOJFI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[(cyclopropyl-oxomethyl)amino]-N-(2-phenylethyl)benzamide
  • 3-(cyclopropylcarbonylamino)-N-(2-phenylethyl)benzamide
  • VT-00597627

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens breast cancer 1, early onset 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica hypothetical protein 0.0043 0.0964 1
Echinococcus granulosus dna polymerase kappa 0.002 0.016 0.016
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0092 0.2656 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0627 0.0627
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.0101 0.294 0.5
Brugia malayi hypothetical protein 0.0043 0.0964 0.0964
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.016 0.0601
Echinococcus multilocularis muscleblind protein 1 0.0304 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.1168 0.1168
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0964 0.0964
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.1168 0.1168
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.0092 0.2656 0.5
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.0092 0.2656 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.1168 0.1168
Schistosoma mansoni DNA polymerase eta 0.002 0.016 0.0601
Mycobacterium tuberculosis Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD) 0.0032 0.0568 1
Brugia malayi glucose-6-phosphate dehydrogenase 0.0092 0.2656 0.2656
Echinococcus granulosus dna polymerase eta 0.002 0.016 0.016
Echinococcus multilocularis dna polymerase kappa 0.002 0.016 0.016
Loa Loa (eye worm) hypothetical protein 0.0304 1 1
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.0092 0.2656 0.2656
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.016 0.016
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.016 0.016
Entamoeba histolytica hypothetical protein 0.0043 0.0964 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.1168 0.1168
Schistosoma mansoni hypothetical protein 0.0043 0.0964 0.3628
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0101 0.294 1
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.0092 0.2656 0.5
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.006 0.1547 0.5558
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0031 0.0518 0.1438
Loa Loa (eye worm) hypothetical protein 0.002 0.016 0.016
Echinococcus multilocularis dna polymerase eta 0.002 0.016 0.016
Entamoeba histolytica hypothetical protein 0.0043 0.0964 1
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0092 0.2656 1
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.0101 0.294 1
Schistosoma mansoni hypothetical protein 0.0034 0.0627 0.2363
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0964 0.3628
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0101 0.294 1
Trypanosoma cruzi Glucose-6-phosphate dehydrogenase, putative 0.003 0.0488 0.1315
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.0092 0.2656 1
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.016 0.016
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.0092 0.2656 0.2656
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0101 0.294 1
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0627 0.0627
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.016 0.016
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.016 0.0601
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.0101 0.294 1
Echinococcus granulosus muscleblind protein 0.0304 1 1
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.0092 0.2656 0.2656
Echinococcus multilocularis muscleblind protein 0.0304 1 1
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.0101 0.294 1
Entamoeba histolytica hypothetical protein 0.0043 0.0964 1
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.0092 0.2656 1
Loa Loa (eye worm) hypothetical protein 0.0304 1 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.016 0.016
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0964 0.0964

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.2283 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) 6.3096 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 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) 44.6684 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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