Detailed information for compound 1609926

Basic information

Technical information
  • TDR Targets ID: 1609926
  • Name: phenyl N-(cyano-phenylmethyl)-N-hexylcarbamat e
  • MW: 336.427 | Formula: C21H24N2O2
  • H donors: 0 H acceptors: 2 LogP: 5.5 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCN(C(c1ccccc1)C#N)C(=O)Oc1ccccc1
  • InChi: 1S/C21H24N2O2/c1-2-3-4-11-16-23(20(17-22)18-12-7-5-8-13-18)21(24)25-19-14-9-6-10-15-19/h5-10,12-15,20H,2-4,11,16H2,1H3
  • InChiKey: RMPDARWUDHEONV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • phenyl N-(cyano-phenyl-methyl)-N-hexyl-carbamate
  • N-(cyano-phenylmethyl)-N-hexylcarbamic acid phenyl ester
  • N-(cyano-phenyl-methyl)-N-hexyl-carbamic acid phenyl ester
  • AIDS-148755
  • AIDS148755
  • NSC681738
  • Phenyl cyano(phenyl)methyl(hexyl)carbamate
  • NCI60_029223

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Loa Loa (eye worm) hypothetical protein 0.0085 0.0905 0.0905
Loa Loa (eye worm) hypothetical protein 0.0085 0.0905 0.0905
Schistosoma mansoni notch 0.0085 0.0905 0.0905
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.013 1
Echinococcus granulosus protein jagged 1 0.0085 0.0905 0.0905
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.013 0.5
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0022 0.013 0.013
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.013 0.5
Brugia malayi Blistered cuticle protein 3 0.0824 1 1
Schistosoma mansoni hypothetical protein 0.0055 0.054 0.054
Loa Loa (eye worm) hypothetical protein 0.0824 1 1
Loa Loa (eye worm) animal heme peroxidase 0.0824 1 1
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.013 0.013
Loa Loa (eye worm) hypothetical protein 0.0085 0.0905 0.0905
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0055 0.054 0.054
Trypanosoma brucei unspecified product 0.0022 0.013 1
Onchocerca volvulus 0.0085 0.0905 0.0905
Onchocerca volvulus Peroxidasin homolog 0.0824 1 1
Schistosoma mansoni peroxidasin 0.0824 1 1
Echinococcus granulosus neurogenic locus notch protein 4 0.0085 0.0905 0.0905
Loa Loa (eye worm) hypothetical protein 0.0824 1 1
Schistosoma mansoni DNA polymerase eta 0.0022 0.013 0.013
Brugia malayi Animal haem peroxidase family protein 0.0824 1 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.0905 0.0905
Onchocerca volvulus Slit protein homolog 0.0085 0.0905 0.0905
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0022 0.013 0.013
Echinococcus granulosus notch 0.0085 0.0905 0.0905
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0158 0.1802 0.1802
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0022 0.013 0.013
Brugia malayi Protein kinase domain containing protein 0.0158 0.1802 0.1802
Echinococcus granulosus dna polymerase kappa 0.0022 0.013 0.013
Loa Loa (eye worm) hypothetical protein 0.0272 0.3205 0.3205
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.013 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0022 0.013 0.5
Loa Loa (eye worm) hypothetical protein 0.0824 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.013 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.013 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.0905 0.0905
Echinococcus multilocularis protein jagged 2 0.0085 0.0905 0.0905
Echinococcus multilocularis thyroid hormone receptor alpha 0.0156 0.1783 0.1783
Echinococcus granulosus slit 2 protein 0.0085 0.0905 0.0905
Loa Loa (eye worm) hypothetical protein 0.0085 0.0905 0.0905
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.013 1
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.013 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.0905 0.0905
Brugia malayi Cadherin domain containing protein 0.0085 0.0905 0.0905
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.013 1
Brugia malayi Animal haem peroxidase family protein 0.0824 1 1
Loa Loa (eye worm) hypothetical protein 0.0824 1 1
Loa Loa (eye worm) animal heme peroxidase 0.0824 1 1
Loa Loa (eye worm) hypothetical protein 0.0824 1 1
Brugia malayi GCC2 and GCC3 family protein 0.0085 0.0905 0.0905
Schistosoma mansoni survival motor neuron protein 0.0055 0.054 0.054
Onchocerca volvulus Chorion peroxidase homolog 0.0824 1 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0022 0.013 0.013
Brugia malayi Peroxidasin 0.0824 1 1
Echinococcus granulosus survival motor neuron protein 1 0.0272 0.3205 0.3205
Toxoplasma gondii EGF family domain-containing protein 0.0085 0.0905 0.5
Echinococcus multilocularis neurogenic locus protein delta 0.0085 0.0905 0.0905
Brugia malayi Delta serrate ligand family protein 0.0085 0.0905 0.0905
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0145 0.164 0.164
Echinococcus multilocularis neurogenic locus notch protein 0.0085 0.0905 0.0905
Echinococcus multilocularis fat cadherin tumor suppressor 0.0085 0.0905 0.0905
Echinococcus multilocularis fibropellin Ia 0.0085 0.0905 0.0905
Onchocerca volvulus Peroxidase homolog 0.0824 1 1
Brugia malayi notch-like transmembrane receptor 0.0085 0.0905 0.0905
Giardia lamblia High cysteine protein 0.0085 0.0905 1
Brugia malayi EGF-like domain containing protein 0.0085 0.0905 0.0905
Brugia malayi EGF-like domain containing protein 0.0085 0.0905 0.0905
Schistosoma mansoni hypothetical protein 0.0085 0.0905 0.0905
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.013 0.013
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.013 1
Schistosoma mansoni notch 0.0085 0.0905 0.0905
Echinococcus granulosus fibropellin Ia 0.0085 0.0905 0.0905
Schistosoma mansoni slit 0.0085 0.0905 0.0905
Brugia malayi EGF-like domain containing protein 0.0085 0.0905 0.0905
Brugia malayi EGF-like domain containing protein 0.0085 0.0905 0.0905
Onchocerca volvulus Putative cubilin 0.0085 0.0905 0.0905
Echinococcus multilocularis neurogenic locus notch protein 4 0.0085 0.0905 0.0905
Onchocerca volvulus 0.0085 0.0905 0.0905
Onchocerca volvulus 0.0085 0.0905 0.0905
Loa Loa (eye worm) hypothetical protein 0.0085 0.0905 0.0905
Loa Loa (eye worm) hypothetical protein 0.0085 0.0905 0.0905
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.013 0.5
Onchocerca volvulus 0.0824 1 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0022 0.013 0.5
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0085 0.0905 0.0905
Onchocerca volvulus 0.0824 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.013 1
Echinococcus granulosus 3-phosphoinositide-dependent protein kinase 1 0.0158 0.1802 0.1802
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0085 0.0905 0.0905
Echinococcus granulosus dna polymerase eta 0.0022 0.013 0.013
Brugia malayi Calcium binding EGF domain containing protein 0.0085 0.0905 0.0905
Schistosoma mansoni cell polarity protein 0.0085 0.0905 0.0905
Echinococcus granulosus neurogenic locus notch protein 0.0085 0.0905 0.0905
Schistosoma mansoni notch 0.0085 0.0905 0.0905
Loa Loa (eye worm) hypothetical protein 0.0824 1 1
Brugia malayi Muscle positioning protein 4 0.0085 0.0905 0.0905
Schistosoma mansoni notch 0.0085 0.0905 0.0905
Loa Loa (eye worm) animal heme peroxidase 0.0824 1 1
Echinococcus multilocularis peroxidasin 0.0824 1 1
Schistosoma mansoni laminin gamma-3 chain 0.0085 0.0905 0.0905
Brugia malayi Calcium binding EGF domain containing protein 0.0085 0.0905 0.0905
Brugia malayi EGF-like domain containing protein 0.0085 0.0905 0.0905
Onchocerca volvulus Peroxidase homolog 0.0824 1 1
Onchocerca volvulus 0.0055 0.054 0.054
Loa Loa (eye worm) hypothetical protein 0.0824 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.013 0.5
Echinococcus granulosus peroxidasin 0.0824 1 1
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.013 1
Trichomonas vaginalis AGC family protein kinase 0.0158 0.1802 1
Echinococcus granulosus neurogenic locus protein delta 0.0085 0.0905 0.0905
Loa Loa (eye worm) hypothetical protein 0.0085 0.0905 0.0905
Schistosoma mansoni terminal deoxycytidyl transferase 0.0022 0.013 0.013
Echinococcus granulosus delta-like protein 1 0.0085 0.0905 0.0905
Schistosoma mansoni peroxidasin 0.0824 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.013 0.5
Loa Loa (eye worm) hypothetical protein 0.0085 0.0905 0.0905
Schistosoma mansoni hypothetical protein 0.0085 0.0905 0.0905
Leishmania major DNA polymerase kappa, putative 0.0022 0.013 0.5
Loa Loa (eye worm) hypothetical protein 0.0824 1 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.0905 0.0905
Onchocerca volvulus Neurogenic locus notch protein homolog 0.0085 0.0905 0.0905
Schistosoma mansoni thyroid hormone receptor 0.0156 0.1783 0.1783
Loa Loa (eye worm) animal heme peroxidase 0.0824 1 1
Loa Loa (eye worm) blistered cuticle protein 3 0.0824 1 1
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0145 0.164 0.164
Brugia malayi Animal haem peroxidase family protein 0.0824 1 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.0905 0.0905
Entamoeba histolytica protein kinase, putative 0.0158 0.1802 1
Echinococcus granulosus protein jagged 1 0.0085 0.0905 0.0905
Trypanosoma cruzi DNA polymerase eta, putative 0.0022 0.013 0.5
Loa Loa (eye worm) hypothetical protein 0.0824 1 1
Brugia malayi EGF-like domain containing protein 0.0085 0.0905 0.0905
Echinococcus multilocularis protein jagged 1 0.0085 0.0905 0.0905
Loa Loa (eye worm) hypothetical protein 0.0085 0.0905 0.0905
Echinococcus multilocularis dna polymerase kappa 0.0022 0.013 0.013
Loa Loa (eye worm) hypothetical protein 0.0824 1 1
Schistosoma mansoni notch 0.0085 0.0905 0.0905
Echinococcus granulosus protein jagged 2 0.0085 0.0905 0.0905
Brugia malayi Animal haem peroxidase family protein 0.0824 1 1
Schistosoma mansoni hypothetical protein 0.0145 0.164 0.164
Loa Loa (eye worm) hypothetical protein 0.0085 0.0905 0.0905
Loa Loa (eye worm) hypothetical protein 0.0022 0.013 0.013
Onchocerca volvulus 0.0085 0.0905 0.0905
Loa Loa (eye worm) hypothetical protein 0.0824 1 1
Leishmania major DNA polymerase eta, putative 0.0022 0.013 0.5
Loa Loa (eye worm) hypothetical protein 0.0824 1 1
Onchocerca volvulus 0.0824 1 1
Schistosoma mansoni hypothetical protein 0.0085 0.0905 0.0905
Echinococcus multilocularis 3 phosphoinositide dependent protein kinase 1 0.0158 0.1802 0.1802
Trichomonas vaginalis AGC family protein kinase 0.0158 0.1802 1
Schistosoma mansoni hypothetical protein 0.0085 0.0905 0.0905
Loa Loa (eye worm) hypothetical protein 0.0085 0.0905 0.0905
Loa Loa (eye worm) hypothetical protein 0.0824 1 1
Schistosoma mansoni hypothetical protein 0.0085 0.0905 0.0905
Brugia malayi EGF-like domain containing protein 0.0085 0.0905 0.0905
Schistosoma mansoni hypothetical protein 0.0085 0.0905 0.0905
Onchocerca volvulus Peroxidasin homolog 0.0824 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0158 0.1802 0.1802
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.013 0.5
Echinococcus granulosus neural cadherin 0.0085 0.0905 0.0905
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.013 1
Echinococcus multilocularis protein jagged 1 0.0085 0.0905 0.0905
Onchocerca volvulus 0.0085 0.0905 0.0905
Echinococcus multilocularis slit 2 protein 0.0085 0.0905 0.0905
Trichomonas vaginalis AGC family protein kinase 0.0158 0.1802 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.0905 0.0905
Echinococcus multilocularis neural cadherin 0.0085 0.0905 0.0905
Echinococcus multilocularis survival motor neuron protein 1 0.0272 0.3205 0.3205
Echinococcus multilocularis neurogenic locus notch protein 0.0085 0.0905 0.0905
Brugia malayi Animal haem peroxidase family protein 0.0824 1 1
Loa Loa (eye worm) hypothetical protein 0.0824 1 1
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0158 0.1802 0.1802
Loa Loa (eye worm) hypothetical protein 0.0085 0.0905 0.0905
Echinococcus granulosus neurogenic locus notch protein 0.0085 0.0905 0.0905
Brugia malayi Calcium binding EGF domain containing protein 0.0085 0.0905 0.0905
Brugia malayi hypothetical protein 0.0272 0.3205 0.3205
Onchocerca volvulus Neurogenic locus notch homolog 0.0085 0.0905 0.0905
Loa Loa (eye worm) notch protein 0.0085 0.0905 0.0905
Onchocerca volvulus Dual oxidase homolog 0.0824 1 1
Schistosoma mansoni notch 0.0085 0.0905 0.0905
Loa Loa (eye worm) hypothetical protein 0.0085 0.0905 0.0905
Echinococcus multilocularis notch 0.0085 0.0905 0.0905
Echinococcus multilocularis dna polymerase eta 0.0022 0.013 0.013
Brugia malayi phosphoinositide-dependent protein kinase I 0.0158 0.1802 0.1802
Schistosoma mansoni thyroid hormone receptor 0.0156 0.1783 0.1783
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.013 1
Brugia malayi Cadherin domain containing protein 0.0085 0.0905 0.0905
Trypanosoma brucei DNA polymerase eta, putative 0.0022 0.013 1
Loa Loa (eye worm) Notch2 0.0085 0.0905 0.0905
Schistosoma mansoni hypothetical protein 0.0085 0.0905 0.0905
Echinococcus granulosus protein jagged 2 0.0085 0.0905 0.0905
Loa Loa (eye worm) hypothetical protein 0.0085 0.0905 0.0905
Loa Loa (eye worm) hypothetical protein 0.0085 0.0905 0.0905
Schistosoma mansoni septate junction protein 0.0085 0.0905 0.0905
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0022 0.013 0.5
Echinococcus multilocularis neurogenic locus protein delta 0.0085 0.0905 0.0905
Loa Loa (eye worm) hypothetical protein 0.0085 0.0905 0.0905
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.013 1

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (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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