Detailed information for compound 1949859

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 495.013 | Formula: C27H31ClN4O3
  • H donors: 0 H acceptors: 3 LogP: 2.96 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN1CCN(CC1)Cc1ccc(c(c1)C)C(=O)Cn1ccc(cc1=O)OCc1ccc(cn1)Cl
  • InChi: 1S/C27H31ClN4O3/c1-3-30-10-12-31(13-11-30)17-21-4-7-25(20(2)14-21)26(33)18-32-9-8-24(15-27(32)34)35-19-23-6-5-22(28)16-29-23/h4-9,14-16H,3,10-13,17-19H2,1-2H3
  • InChiKey: KEOVCIBDXDTTOR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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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 No 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 Proteasome subunit beta type 5 precursor 0.0056 1 1
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0056 1 1
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0056 1 1
Toxoplasma gondii proteasome subunit beta type, putative 0.0056 1 1
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0056 1 1
Plasmodium falciparum proteasome subunit beta type-5 0.0056 1 1
Onchocerca volvulus Notchless protein homolog 0.0004 0 0.5
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0056 1 1
Echinococcus granulosus proteasome prosome macropain 0.0056 1 1
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0056 1 1
Plasmodium vivax proteasome subunit beta type-5, putative 0.0056 1 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent protease peptidase subunit 0.0004 0 0.5
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0056 1 1
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0056 1 1
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0056 1 1
Echinococcus multilocularis proteasome (prosome, macropain) 0.0056 1 1
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0056 1 1
Leishmania major proteasome beta 5 subunit, putative 0.0056 1 1
Mycobacterium ulcerans proteasome PrcB 0.0056 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 79 nM BindingDB_Patents: Binding Assay. Membranes from CHO/Galpha16 cells stably transfected with human hMCH-1R are resuspended using a syringe (needle 0.6x25 mm) and diluted in test buffer (50 mM HEPES, 10 mM MgCl2, 2 mM EGTA, pH 7.00; 0.1% bovine serum albumin (protease-free), 0.021% bacitracin, 1 ug/ml aprotinin, 1 ug/ml leupeptin and 1 uM phosphoramidone) to a concentration of 5 to 15 ug/ml. 200 microliters of this membrane fraction (contains 1 to 3 ug of protein) are incubated for 60 minutes at ambient temperature with 100 pM of 125I-tyrosyl melanin concentrating hormone (125I-MCH commercially obtainable from NEN) and increasing concentrations of the test compound in a final volume of 250 microliters. After the incubation the reaction is filtered using a cell harvester through 0.5% PEI treated fibreglass filters (GF/B, Unifilter Packard). The membrane-bound radioactivity retained on the filter is then determined after the addition of scintillator substance (Packard Microscint 20). 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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