Detailed information for compound 330599

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 494.573 | Formula: C24H29F3N4O2S
  • H donors: 0 H acceptors: 2 LogP: 3.88 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CC[C@H](C1)N(C(=O)N1CC[C@@H](C1)N(C(=O)c1ccc(s1)c1ccccc1C(F)(F)F)C)C
  • InChi: 1S/C24H29F3N4O2S/c1-28-12-10-16(14-28)30(3)23(33)31-13-11-17(15-31)29(2)22(32)21-9-8-20(34-21)18-6-4-5-7-19(18)24(25,26)27/h4-9,16-17H,10-15H2,1-3H3/t16-,17+/m1/s1
  • InChiKey: MFRUFOHSOXJFRJ-SJORKVTESA-N  

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

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
Giardia lamblia Cytidine deaminase 0.011 1 1
Echinococcus multilocularis cytidine deaminase 0.011 1 1
Mycobacterium leprae PROBABLE CYTIDINE DEAMINASE CDD (CYTIDINE AMINOHYDROLASE) (CYTIDINE NUCLEOSIDE DEAMINASE) 0.011 1 0.5
Trypanosoma brucei ingi protein (ORF1) 0.0024 0.0212 0.0212
Leishmania major cytidine deaminase-like protein 0.011 1 1
Trypanosoma cruzi cytidine deaminase-like protein 0.011 1 1
Mycobacterium tuberculosis Probable cytidine deaminase Cdd (cytidine aminohydrolase) (cytidine nucleoside deaminase) 0.011 1 0.5
Trypanosoma brucei ingi protein (ORF1) 0.0024 0.0212 0.0212
Onchocerca volvulus 0.011 1 1
Entamoeba histolytica cytidine deaminase, putative 0.011 1 0.5
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0024 0.0212 0.0212
Trypanosoma brucei cytidine deaminase 0.011 1 1
Toxoplasma gondii cytidine and deoxycytidylate deaminase zinc-binding region domain-containing protein 0.011 1 1
Trypanosoma brucei RNA helicase, putative 0.0082 0.6869 0.6869
Trypanosoma cruzi cytidine deaminase-like protein, putative 0.011 1 1
Treponema pallidum ribonuclease H (rnhA) 0.0022 0 0.5
Trypanosoma brucei unspecified product 0.0024 0.0212 0.0212
Mycobacterium ulcerans cytidine deaminase 0.011 1 0.5
Schistosoma mansoni hypothetical protein 0.0082 0.6869 1
Onchocerca volvulus 0.011 1 1
Wolbachia endosymbiont of Brugia malayi ribonuclease HI 0.0022 0 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0024 0.0212 0.0212
Trichomonas vaginalis cytidine deaminase, putative 0.011 1 1
Echinococcus granulosus cytidine deaminase 0.011 1 1
Trichomonas vaginalis cytidine deaminase, putative 0.011 1 1

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 61 nM Binding affinity towards the human MCH-R1 receptor by displacing [125I]-Tyr13]-MCH radioligand in HEK293 cells, Data is average of 3 or more independent measurements ChEMBL. 15950467
Ki (binding) = 61 nM Binding affinity towards the human MCH-R1 receptor by displacing [125I]-Tyr13]-MCH radioligand in HEK293 cells, Data is average of 3 or more independent measurements ChEMBL. 15950467

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.