Detailed information for compound 183030

Basic information

Technical information
  • TDR Targets ID: 183030
  • Name: N-[[4-[(5,6-dichloro-2-piperidin-4-ylbenzimid azol-1-yl)methyl]phenyl]methyl]pentan-1-amine
  • MW: 459.454 | Formula: C25H32Cl2N4
  • H donors: 2 H acceptors: 1 LogP: 5.6 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCNCc1ccc(cc1)Cn1c(nc2c1cc(Cl)c(c2)Cl)C1CCNCC1
  • InChi: 1S/C25H32Cl2N4/c1-2-3-4-11-29-16-18-5-7-19(8-6-18)17-31-24-15-22(27)21(26)14-23(24)30-25(31)20-9-12-28-13-10-20/h5-8,14-15,20,28-29H,2-4,9-13,16-17H2,1H3
  • InChiKey: AYBRNKVGNNATNE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[[4-[[5,6-dichloro-2-(4-piperidyl)benzimidazol-1-yl]methyl]phenyl]methyl]pentan-1-amine
  • N-[[4-[[5,6-dichloro-2-(4-piperidinyl)-1-benzimidazolyl]methyl]phenyl]methyl]-1-pentanamine
  • N-[[4-[(5,6-dichloro-2-piperidin-4-yl-benzimidazol-1-yl)methyl]phenyl]methyl]pentan-1-amine
  • amyl-[4-[[5,6-dichloro-2-(4-piperidyl)benzimidazol-1-yl]methyl]benzyl]amine
  • N-[[4-[[5,6-dichloro-2-(4-piperidinyl)-1-benzimidazolyl]methyl]phenyl]methyl]pentan-1-amine
  • AIDS-179833
  • AIDS179833
  • Benzenemethanamine, 4-[[5,6-dichloro-2-(4-piperidinyl)-1H-benzimidazol-1-yl]methyl]-N-pentyl-

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) TK/FER protein kinase 0.2435 0.5 0.5
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.2435 0.5 0.5
Brugia malayi Protein kinase domain containing protein 0.2435 0.5 0.5
Echinococcus multilocularis tyrosine protein kinase Src64B 0.2435 0.5 0.5
Onchocerca volvulus 0.2435 0.5 0.5
Echinococcus multilocularis tyrosine protein kinase Fps85D 0.2435 0.5 0.5
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.2435 0.5 0.5
Brugia malayi Protein kinase domain containing protein 0.2435 0.5 0.5
Echinococcus granulosus c src tyrosine kinase 0.2435 0.5 0.5
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.2435 0.5 0.5
Loa Loa (eye worm) TK/FER protein kinase 0.2435 0.5 0.5
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.2435 0.5 0.5
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.2435 0.5 0.5
Echinococcus granulosus tyrosine protein kinase Fps85D 0.2435 0.5 0.5
Echinococcus granulosus tyrosine protein kinase Fyn 0.2435 0.5 0.5
Brugia malayi SRC-1 0.2435 0.5 0.5
Echinococcus multilocularis tyrosine protein kinase Blk 0.2435 0.5 0.5
Loa Loa (eye worm) TK/ABL protein kinase 0.2435 0.5 0.5
Echinococcus multilocularis tyrosine protein kinase Fyn 0.2435 0.5 0.5
Echinococcus multilocularis tyrosine protein kinase Fyn 0.2435 0.5 0.5
Schistosoma mansoni tyrosine kinase 0.2435 0.5 0.5
Loa Loa (eye worm) TK/FER protein kinase 0.2435 0.5 0.5
Echinococcus multilocularis tyrosine protein kinase Abl 0.2435 0.5 0.5
Echinococcus granulosus tyrosine kinase 0.2435 0.5 0.5
Schistosoma mansoni tyrosine kinase 0.2435 0.5 0.5
Echinococcus granulosus tyrosine protein kinase Src64B 0.2435 0.5 0.5
Echinococcus granulosus tyrosine protein kinase Blk 0.2435 0.5 0.5
Schistosoma mansoni tyrosine kinase 0.2435 0.5 0.5
Loa Loa (eye worm) SRC-1 0.2435 0.5 0.5
Echinococcus multilocularis tyrosine protein kinase ABL1 0.2435 0.5 0.5
Echinococcus granulosus tyrosine protein kinase shark 0.2435 0.5 0.5
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.2435 0.5 0.5
Echinococcus granulosus tyrosine protein kinase Btk29A 0.2435 0.5 0.5
Echinococcus granulosus tyrosine protein kinase Srms 0.2435 0.5 0.5
Echinococcus granulosus tyrosine kinase 0.2435 0.5 0.5
Echinococcus granulosus tyrosine protein kinase Fyn 0.2435 0.5 0.5
Loa Loa (eye worm) TK/FER protein kinase 0.2435 0.5 0.5
Loa Loa (eye worm) TK/FER protein kinase 0.2435 0.5 0.5
Loa Loa (eye worm) TK/FER protein kinase 0.2435 0.5 0.5
Schistosoma mansoni tyrosine kinase 0.2435 0.5 0.5
Onchocerca volvulus 0.2435 0.5 0.5
Schistosoma mansoni tyrosine kinase 0.2435 0.5 0.5
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.2435 0.5 0.5
Echinococcus granulosus tyrosine protein kinase Lyn 0.2435 0.5 0.5
Entamoeba histolytica SH2-protein kinase domain containing protein 0.2435 0.5 0.5
Brugia malayi SH2 domain containing protein 0.2435 0.5 0.5
Onchocerca volvulus 0.2435 0.5 0.5
Echinococcus multilocularis tyrosine protein kinase shark 0.2435 0.5 0.5
Loa Loa (eye worm) TK/FER protein kinase 0.2435 0.5 0.5
Echinococcus multilocularis tyrosine protein kinase Fyn 0.2435 0.5 0.5
Schistosoma mansoni tyrosine kinase 0.2435 0.5 0.5
Echinococcus multilocularis tyrosine kinase 0.2435 0.5 0.5
Echinococcus multilocularis c src tyrosine kinase 0.2435 0.5 0.5
Echinococcus multilocularis tyrosine protein kinase Srms 0.2435 0.5 0.5
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.2435 0.5 0.5
Loa Loa (eye worm) TK protein kinase 0.2435 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.2435 0.5 0.5
Echinococcus granulosus tyrosine protein kinase ABL1 0.2435 0.5 0.5
Brugia malayi Protein kinase domain containing protein 0.2435 0.5 0.5
Brugia malayi hypothetical protein 0.2435 0.5 0.5
Brugia malayi Tyrosine-protein kinase abl-1 0.2435 0.5 0.5
Brugia malayi SH2 domain containing protein 0.2435 0.5 0.5
Echinococcus multilocularis tyrosine protein kinase Src42A 0.2435 0.5 0.5
Echinococcus granulosus tyrosine protein kinase Src42A 0.2435 0.5 0.5
Echinococcus granulosus tyrosine protein kinase Fyn 0.2435 0.5 0.5
Echinococcus multilocularis tyrosine protein kinase Fgr 0.2435 0.5 0.5
Loa Loa (eye worm) TK/FER protein kinase 0.2435 0.5 0.5
Loa Loa (eye worm) TK/FER protein kinase 0.2435 0.5 0.5
Echinococcus multilocularis tyrosine protein kinase Fyn 0.2435 0.5 0.5
Loa Loa (eye worm) TK/FER protein kinase 0.2435 0.5 0.5
Brugia malayi Protein kinase domain containing protein 0.2435 0.5 0.5
Onchocerca volvulus 0.2435 0.5 0.5
Brugia malayi protein-tyrosine kinase 0.2435 0.5 0.5
Onchocerca volvulus 0.2435 0.5 0.5
Onchocerca volvulus 0.2435 0.5 0.5

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 1 uM Antibacterial activity of the compound determined against gram-positive E. hirae 29212 ChEMBL. 12951103
MIC (functional) = 1 uM Antibacterial activity of the compound determined against E. faecium ATCC 29212 ChEMBL. 12951103
MIC (functional) = 3 uM Antibacterial activity of the compound determined against gram-positive S. pyogenes 49399 ChEMBL. 12951103
MIC (functional) = 3 uM Antibacterial activity of the compound determined against E. faecalis ATCC 11823 ChEMBL. 12951103
MIC (functional) = 3 uM Antibacterial activity of the compound determined against E. faecium ATCC 6569 ChEMBL. 12951103
MIC (functional) = 6 uM Antibacterial activity determined against S. aureus ChEMBL. 12951103
MIC (functional) = 6 uM Antibacterial activity of the compound determined against gram-positive S. aureus 13709 ChEMBL. 12951103
MIC (functional) = 6 uM Antibacterial activity of the compound determined against gram-negativeK. pneumoniae 13383 ChEMBL. 12951103
MIC (functional) = 6 uM Antibacterial activity of the compound determined against E. faecalis ATCC 23241 ChEMBL. 12951103
MIC (functional) = 6 uM Antibacterial activity of the compound determined against E. faecalis ATCC 4200 ChEMBL. 12951103
MIC (functional) = 6 uM Antibacterial activity of the compound determined against E. faecalis ATCC 49757 ChEMBL. 12951103
MIC (functional) = 6 uM Antibacterial activity of the compound determined against E. faecalis ATCC 828 ChEMBL. 12951103
MIC (functional) = 6 uM Antibacterial activity of the compound determined against E. faecium ATCC 882 ChEMBL. 12951103
MIC (functional) = 12 uM Antibacterial activity determined against E. coli ChEMBL. 12951103
MIC (functional) = 12 uM Antibacterial activity of the compound determined against gram-positive S. pneumoniae 6303 ChEMBL. 12951103
MIC (functional) = 12 uM Antibacterial activity of the compound determined against gram-negativeE. coli 25922 ChEMBL. 12951103
MIC (functional) = 12 uM Antibacterial activity determined against E. coli ChEMBL. 12951103
MIC (functional) = 12 uM Antibacterial activity of the compound determined against gram-negativeE. coli 25922 ChEMBL. 12951103
MIC (functional) = 25 uM Antibacterial activity of the compound determined against gram-negativeP. vulgaris 8427 ChEMBL. 12951103
MIC (functional) = 25 uM Antibacterial activity of the compound determined against gram-negativeP. aeruginosa 25416 ChEMBL. 12951103
MIC (functional) = 50 uM Antifungal activity of the compound determined against C. albicans 10231 ChEMBL. 12951103
MIC (functional) = 50 uM Antifungal activity of the compound determined against C. albicans 10231 ChEMBL. 12951103
MIC (functional) > 100 uM Minimum inhibitory concentration required against bacterial transcription/translation ChEMBL. 12951103

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

1 literature reference was collected for this gene.

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