Detailed information for compound 1722447

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 390.947 | Formula: C22H31ClN2O2
  • H donors: 1 H acceptors: 2 LogP: 4.84 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC([C@H](C(=O)N1CCC(CC1)c1ccc(cc1)Cl)NC(=O)C1CCCC1)C
  • InChi: 1S/C22H31ClN2O2/c1-15(2)20(24-21(26)18-5-3-4-6-18)22(27)25-13-11-17(12-14-25)16-7-9-19(23)10-8-16/h7-10,15,17-18,20H,3-6,11-14H2,1-2H3,(H,24,26)/t20-/m1/s1
  • InChiKey: JJUAVGQQQZXFID-HXUWFJFHSA-N  

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 chemokine (C-C motif) 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
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi hypothetical protein chemokine (C-C motif) receptor 1 355 aa 289 aa 21.8 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Schistosoma mansoni lamin 0.0028 0.3537 0.6116
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.5545 0.5545
Loa Loa (eye worm) hypothetical protein 0.0036 0.5545 0.5545
Echinococcus multilocularis musashi 0.0028 0.3537 1
Echinococcus granulosus lamin 0.0028 0.3537 1
Echinococcus multilocularis lamin 0.0028 0.3537 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0375 0.0375
Schistosoma mansoni intermediate filament proteins 0.0028 0.3537 0.6116
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.3537 0.3537
Echinococcus granulosus lamin dm0 0.0028 0.3537 1
Schistosoma mansoni hypothetical protein 0.0036 0.5545 1
Brugia malayi intermediate filament protein 0.0028 0.3537 0.3537
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.3537 0.3537
Loa Loa (eye worm) hypothetical protein 0.0028 0.3537 0.3537
Onchocerca volvulus 0.0028 0.3537 0.5
Echinococcus granulosus intermediate filament protein 0.0028 0.3537 1
Loa Loa (eye worm) intermediate filament protein 0.0028 0.3537 0.3537
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0375 0.0375
Schistosoma mansoni lamin 0.0028 0.3537 0.6116
Loa Loa (eye worm) hypothetical protein 0.0028 0.3397 0.3397
Onchocerca volvulus 0.0028 0.3537 0.5
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0375 0.0375
Echinococcus multilocularis lamin dm0 0.0028 0.3537 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0375 0.0375

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 70 nM Displacement of [125I]MIP-1alpha from CCR1 in human THP1 cells ChEMBL. 23075267

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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