Detailed information for compound 1512291

Basic information

Technical information
  • TDR Targets ID: 1512291
  • Name: N-cyclohexyl-N-(cyclohexylcarbamoyl)undec-10- enamide
  • MW: 390.602 | Formula: C24H42N2O2
  • H donors: 1 H acceptors: 2 LogP: 7.61 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCCCCCCCCC(=O)N(C(=O)NC1CCCCC1)C1CCCCC1
  • InChi: 1S/C24H42N2O2/c1-2-3-4-5-6-7-8-15-20-23(27)26(22-18-13-10-14-19-22)24(28)25-21-16-11-9-12-17-21/h2,21-22H,1,3-20H2,(H,25,28)
  • InChiKey: GWAPVSASNIVCFH-UHFFFAOYSA-N  

Network

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Synonyms

  • N-cyclohexyl-N-[(cyclohexylamino)-oxomethyl]undec-10-enamide

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
Echinococcus multilocularis neuroglian 0.0188 0.1465 0.1465
Loa Loa (eye worm) hypothetical protein 0.0297 0.6293 1
Schistosoma mansoni cell adhesion molecule 0.0175 0.088 0.1031
Echinococcus multilocularis Down syndrome cell adhesion molecule 0.0192 0.1658 0.1658
Schistosoma mansoni cell adhesion molecule 0.0225 0.3122 0.3658
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0225 0.3122 0.4961
Echinococcus multilocularis roundabout 2 0.0225 0.3122 0.3122
Schistosoma mansoni titin 0.0175 0.088 0.1031
Echinococcus multilocularis transfer RNA-Phe 0.0175 0.088 0.088
Schistosoma mansoni titin 0.0175 0.088 0.1031
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0225 0.3122 0.3122
Echinococcus granulosus roundabout 2 0.0225 0.3122 0.3122
Echinococcus multilocularis neuroglian 0.0225 0.3122 0.3122
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0183 0.1266 0.1266
Schistosoma mansoni cell adhesion molecule 0.0175 0.088 0.1031
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0225 0.3122 0.3122
Brugia malayi hypothetical protein 0.0297 0.6293 1
Echinococcus granulosus neuroglian 0.0188 0.1465 0.1465
Schistosoma mansoni nephrin 0.0225 0.3122 0.3658
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0175 0.088 0.1399
Echinococcus granulosus contactin 0.0225 0.3122 0.3122
Schistosoma mansoni serine/threonine protein kinase 0.0175 0.088 0.1031
Onchocerca volvulus 0.0175 0.088 0.5
Schistosoma mansoni neuroglian 0.0225 0.3122 0.3658
Brugia malayi Immunoglobulin I-set domain containing protein 0.0247 0.4093 0.5934
Loa Loa (eye worm) hypothetical protein 0.0238 0.3707 0.589
Schistosoma mansoni cell adhesion molecule 0.0347 0.8535 1
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0175 0.088 0.1399
Echinococcus multilocularis titin 0.0175 0.088 0.088
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0205 0.2242 0.2242
Loa Loa (eye worm) hypothetical protein 0.0297 0.6293 1
Schistosoma mansoni nephrin 0.0329 0.7758 0.9089
Brugia malayi Fibronectin type III domain containing protein 0.0297 0.6293 1
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0225 0.3122 0.3122
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0183 0.1266 0.1266
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0175 0.088 0.1399
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0192 0.1658 0.2634
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0175 0.088 0.1399
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0225 0.3122 0.3658
Loa Loa (eye worm) hypothetical protein 0.0225 0.3122 0.4961
Echinococcus granulosus titin 0.0175 0.088 0.088
Brugia malayi Immunoglobulin I-set domain containing protein 0.0192 0.1658 0.1437
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0247 0.4093 0.6503
Echinococcus granulosus neuroglian 0.0225 0.3122 0.3122
Onchocerca volvulus 0.0175 0.088 0.5
Onchocerca volvulus 0.0175 0.088 0.5
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0225 0.3122 0.3122
Schistosoma mansoni ephrin receptor 0.0183 0.1266 0.1483
Schistosoma mansoni myosin-binding protein-related 0.0175 0.088 0.1031
Echinococcus granulosus titin 0.0175 0.088 0.088
Loa Loa (eye worm) CAMK protein kinase 0.0175 0.088 0.1399
Echinococcus granulosus twitchin 0.0188 0.1465 0.1465
Brugia malayi Immunoglobulin I-set domain containing protein 0.0225 0.3122 0.4142
Loa Loa (eye worm) hypothetical protein 0.0238 0.3707 0.589
Loa Loa (eye worm) hypothetical protein 0.0175 0.088 0.1399
Schistosoma mansoni hemicentin 0.0175 0.088 0.1031
Loa Loa (eye worm) hypothetical protein 0.0205 0.2242 0.3563
Echinococcus multilocularis roundabout 2 0.0225 0.3122 0.3122
Schistosoma mansoni cell adhesion molecule 0.0225 0.3122 0.3658
Echinococcus granulosus Down syndrome cell adhesion molecule 0.0192 0.1658 0.1658
Loa Loa (eye worm) projectin 0.0175 0.088 0.1399
Loa Loa (eye worm) hypothetical protein 0.0175 0.088 0.1399
Brugia malayi Immunoglobulin I-set domain containing protein 0.0225 0.3122 0.4142
Brugia malayi Immunoglobulin I-set domain containing protein 0.0297 0.6293 1
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0225 0.3122 0.4961
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0175 0.088 0.088
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0225 0.3122 0.3122
Echinococcus granulosus nephrin 0.0175 0.088 0.088
Schistosoma mansoni hypothetical protein 0.0175 0.088 0.1031
Brugia malayi Immunoglobulin I-set domain containing protein 0.0225 0.3122 0.4142
Echinococcus granulosus roundabout 2 0.0225 0.3122 0.3122
Loa Loa (eye worm) hypothetical protein 0.0297 0.6293 1

Activities

Activity type Activity value Assay description Source Reference
IZ (functional) = 10.6 mm Antibacterial activity against Escherichia coli ATCC 25922 after 24 hrs by disc diffusion method ChEMBL. 21345547
IZ (functional) = 12.1 mm Antifungal activity against Candida albicans after 3 to 4 days by disc diffusion method ChEMBL. 21345547
MBC (functional) = 100 ug ml-1 Antibacterial activity against Escherichia coli ATCC 25922 after 24 hrs by broth dilution technique ChEMBL. 21345547
MFC (functional) = 100 ug ml-1 Antifungal activity against Candida albicans after 48 hrs by broth dilution technique ChEMBL. 21345547
MIC (functional) = 50 ug ml-1 Antifungal activity against Candida albicans after 48 hrs by broth dilution technique ChEMBL. 21345547
MIC (functional) = 100 ug ml-1 Antibacterial activity against Escherichia coli ATCC 25922 after 24 hrs by broth dilution technique ChEMBL. 21345547

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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