Detailed information for compound 375851

Basic information

Technical information
  • TDR Targets ID: 375851
  • Name: 3-(3-chloro-4-fluorophenyl)-1-(6-cyano-1,2,3, 4-tetrahydronaphthalen-2-yl)-1-[3-(4-methylpi perazin-1-yl)propyl]urea
  • MW: 484.009 | Formula: C26H31ClFN5O
  • H donors: 1 H acceptors: 2 LogP: 4.18 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccc2c(c1)CCC(C2)N(C(=O)Nc1ccc(c(c1)Cl)F)CCCN1CCN(CC1)C
  • InChi: 1S/C26H31ClFN5O/c1-31-11-13-32(14-12-31)9-2-10-33(26(34)30-22-6-8-25(28)24(27)17-22)23-7-5-20-15-19(18-29)3-4-21(20)16-23/h3-4,6,8,15,17,23H,2,5,7,9-14,16H2,1H3,(H,30,34)
  • InChiKey: GQQWSGJBHQVUSW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(3-chloro-4-fluoro-phenyl)-1-(6-cyanotetralin-2-yl)-1-[3-(4-methylpiperazin-1-yl)propyl]urea
  • 3-(3-chloro-4-fluorophenyl)-1-(6-cyano-2-tetralinyl)-1-[3-(4-methyl-1-piperazinyl)propyl]urea
  • 3-(3-chloro-4-fluoro-phenyl)-1-(6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl)-1-[3-(4-methylpiperazin-1-yl)propyl]urea
  • 3-(3-chloro-4-fluoro-phenyl)-1-(6-cyanotetralin-2-yl)-1-[3-(4-methylpiperazino)propyl]urea

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens melanin-concentrating hormone receptor 1 Starlite/ChEMBL 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
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0351 0.4748 0.1556
Loa Loa (eye worm) sugar transporter 0.0351 0.4748 0.5
Entamoeba histolytica DNA repair and recombination protein, putative 0.0619 1 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0351 0.4748 0.4748
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0619 1 1
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0619 1 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0351 0.4748 0.1556
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0351 0.4748 0.1556
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0619 1 1
Plasmodium vivax hexose transporter 0.0351 0.4748 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0619 1 1
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0351 0.4748 0.1556
Entamoeba histolytica hypothetical protein, conserved 0.0619 1 0.5
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0619 1 1
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0619 1 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0351 0.4748 0.1556
Plasmodium falciparum hexose transporter 0.0351 0.4748 0.5
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0619 1 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0351 0.4748 0.1556
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0619 1 1
Giardia lamblia Rrm3p helicase 0.0619 1 0.5
Schistosoma mansoni hypothetical protein 0.0619 1 1
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0351 0.4748 0.1556
Toxoplasma gondii facilitative glucose transporter GT1 0.0351 0.4748 0.5
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0351 0.4748 0.1556
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0619 1 1
Brugia malayi Sugar transporter family protein 0.0351 0.4748 0.5

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 340 nM Inhibition of 125I-MCH binding to human MCH-R1 expressed in CHO cell membranes ChEMBL. 17251014
Ki (binding) = 340 nM Inhibition of 125I-MCH binding to human MCH-R1 expressed in CHO cell membranes ChEMBL. 17251014

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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