Detailed information for compound 326744

Basic information

Technical information
  • TDR Targets ID: 326744
  • Name: N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin -6-yl]-3-(4-methoxyphenyl)propanamide
  • MW: 432.558 | Formula: C26H32N4O2
  • H donors: 1 H acceptors: 2 LogP: 4.23 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN1CCN(CC1)c1cc(C)c2c(n1)ccc(c2)NC(=O)CCc1ccc(cc1)OC
  • InChi: 1S/C26H32N4O2/c1-4-29-13-15-30(16-14-29)25-17-19(2)23-18-21(8-11-24(23)28-25)27-26(31)12-7-20-5-9-22(32-3)10-6-20/h5-6,8-11,17-18H,4,7,12-16H2,1-3H3,(H,27,31)
  • InChiKey: WKMSGMMIFOIUKL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(4-ethylpiperazin-1-yl)-4-methyl-6-quinolyl]-3-(4-methoxyphenyl)propanamide
  • N-[2-(4-ethyl-1-piperazinyl)-4-methyl-6-quinolyl]-3-(4-methoxyphenyl)propanamide
  • N-[2-(4-ethylpiperazin-1-yl)-4-methyl-quinolin-6-yl]-3-(4-methoxyphenyl)propanamide
  • N-[2-(4-ethylpiperazino)-4-methyl-6-quinolyl]-3-(4-methoxyphenyl)propionamide
  • N-[2-(4-ethylpiperazin-1-yl)-4-methyl-6-quinolyl]-3-(4-methoxyphenyl)propionamide

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 Prenyltransferase 0.0056 0.1209 0.5
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.0061 0.1816 1
Plasmodium falciparum protein farnesyltransferase subunit beta 0.0056 0.1209 0.5
Trypanosoma cruzi lanosterol synthase, putative 0.0061 0.1816 1
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0056 0.1209 0.5
Onchocerca volvulus Matrix metalloproteinase homolog 0.0082 0.4136 1
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0056 0.1209 0.5
Plasmodium vivax hypothetical protein, conserved 0.0077 0.3578 1
Entamoeba histolytica protein farnesyltransferase beta subunit, putative 0.0056 0.1209 0.5
Schistosoma mansoni protein farnesyltransferase subunit beta 0.0056 0.1209 1
Brugia malayi Matrixin family protein 0.0089 0.4963 1
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.0056 0.1209 0.2436
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0056 0.1209 0.5
Leishmania major farnesyltransferase beta subunit 0.0056 0.1209 1
Trypanosoma cruzi lanosterol synthase, putative 0.0061 0.1816 1
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0134 1 1
Mycobacterium leprae PROBABLE HYDROLASE 0.0045 0 0.5
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative 0.0056 0.1209 0.5
Loa Loa (eye worm) matrixin family protein 0.0089 0.4963 1
Plasmodium vivax serine-repeat antigen 4 (SERA) 0.0077 0.3578 1
Loa Loa (eye worm) matrixin family protein 0.0082 0.4136 0.8334
Onchocerca volvulus Matrilysin homolog 0.0082 0.4136 1
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0056 0.1209 0.5
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative 0.0056 0.1209 0.5
Mycobacterium ulcerans hydrolase 0.0045 0 0.5
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0056 0.1209 0.2436
Toxoplasma gondii hypothetical protein 0.0077 0.3578 1
Trypanosoma brucei lanosterol synthase 0.0061 0.1816 1
Brugia malayi Hemopexin family protein 0.0052 0.0827 0.1666
Plasmodium vivax transporter, putative 0.0077 0.3578 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 251 nM Displacement of 150p M [125I]-MCH from human MCH1R expressed in CHO-K1 cells ChEMBL. 16134937
IC50 (binding) = 251 nM Displacement of 150p M [125I]-MCH from human MCH1R expressed in CHO-K1 cells ChEMBL. 16134937
IC50 (binding) = 0.73 uM Inhibition of Melanin-concentrating hormone 1 receptor expressed in CHO cells ChEMBL. 15267235
IC50 (binding) = 0.73 uM Inhibition of Melanin-concentrating hormone 1 receptor expressed in CHO cells ChEMBL. 15267235

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

2 literature references were collected for this gene.

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