Detailed information for compound 1262701

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 436.909 | Formula: C24H22ClFN4O
  • H donors: 0 H acceptors: 2 LogP: 3.96 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(c(c1)F)c1ccn(c(=O)c1)c1ccc2c(c1)cnn2CCN1CCCC1
  • InChi: 1S/C24H22ClFN4O/c25-19-3-5-21(22(26)15-19)17-7-10-29(24(31)14-17)20-4-6-23-18(13-20)16-27-30(23)12-11-28-8-1-2-9-28/h3-7,10,13-16H,1-2,8-9,11-12H2
  • InChiKey: RBKWTBRKCDWEQL-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 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 histone acetyltransferase MYST2 0.0054 0.1081 0.0287
Loa Loa (eye worm) hypothetical protein 0.0284 0.9653 1
Loa Loa (eye worm) hypothetical protein 0.0258 0.8712 0.8932
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0048 0.0835 0.5
Mycobacterium ulcerans lipoprotein aminopeptidase LpqL 0.0025 0 0.5
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0054 0.1081 1
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0191 0.6201 1
Schistosoma mansoni NAALADASE L peptidase (M28 family) 0.0181 0.5836 0.5456
Loa Loa (eye worm) MBCTL1 0.0054 0.1081 0.0279
Mycobacterium tuberculosis Probable lipoprotein aminopeptidase LpqL 0.0025 0 0.5
Schistosoma mansoni hypothetical protein 0.0169 0.537 0.4948
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0054 0.1081 0.0458
Echinococcus granulosus geminin 0.0169 0.537 0.8451
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0054 0.1081 0.0287
Loa Loa (eye worm) hypothetical protein 0.0054 0.1081 0.0279
Echinococcus multilocularis geminin 0.0169 0.537 0.5294
Echinococcus granulosus histone acetyltransferase MYST2 0.0054 0.1081 0.0458
Schistosoma mansoni myelin transcription factor 1 myt1 0.0054 0.1081 0.0268
Schistosoma mansoni hypothetical protein 0.0169 0.537 0.4948
Onchocerca volvulus 0.0048 0.0835 0.5
Echinococcus multilocularis n acetylated alpha linked acidic dipeptidase 2 0.0277 0.9401 1
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0191 0.6201 0.6264
Loa Loa (eye worm) hypothetical protein 0.0188 0.6088 0.5957

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 62 nM Displacement of [3H]GW803430 from MCH-1 receptor expressed in CHO-K1 cells ChEMBL. 20951036

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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