Detailed information for compound 176346

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 268.354 | Formula: C17H20N2O
  • H donors: 0 H acceptors: 1 LogP: 2.11 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=Cc1ccn(c1)C1CCN(CC1)Cc1ccccc1
  • InChi: 1S/C17H20N2O/c20-14-16-6-11-19(13-16)17-7-9-18(10-8-17)12-15-4-2-1-3-5-15/h1-6,11,13-14,17H,7-10,12H2
  • InChiKey: NIMADOZRRAVFFL-UHFFFAOYSA-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 dopamine receptor D4 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 tyrosine protein kinase 0.2865 0.6536 1
Echinococcus granulosus tyrosine protein kinase 0.2865 0.6536 1
Onchocerca volvulus 0.0562 0.0796 1
Loa Loa (eye worm) hypothetical protein 0.3683 0.8574 0.8577
Brugia malayi Immunoglobulin I-set domain containing protein 0.0252 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0501 0.0644 0.0644
Brugia malayi hypothetical protein 0.0501 0.0644 0.0644
Schistosoma mansoni hypothetical protein 0.0501 0.0644 1
Loa Loa (eye worm) hypothetical protein 0.0501 0.0644 0.0644
Echinococcus granulosus MAM 0.0501 0.0644 0.0986
Echinococcus multilocularis MAM 0.0501 0.0644 0.0986
Loa Loa (eye worm) hypothetical protein 0.0501 0.0644 0.0644
Loa Loa (eye worm) hypothetical protein 0.2796 0.6363 0.6365
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0252 0.0022 0.0022
Loa Loa (eye worm) TK protein kinase 0.2865 0.6536 0.6539
Brugia malayi Protein kinase domain containing protein 0.2865 0.6536 0.6536
Schistosoma mansoni hypothetical protein 0.0501 0.0644 1
Loa Loa (eye worm) TK/ALK protein kinase 0.4254 0.9996 1

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 960 nM Displacement of [3H]-spiperone from human Dopamine receptor D4.4 expressed in CHO cells ChEMBL. 10560741
Ki (binding) = 960 nM Displacement of [3H]-spiperone from human Dopamine receptor D4.4 expressed in CHO cells ChEMBL. 10560741
Ki (binding) = 31000 nM Displacement of [3H]-spiperone from human Dopamine receptor D3 expressed in CHO cells ChEMBL. 10560741
Ki (binding) = 31000 nM Displacement of [3H]-spiperone from human Dopamine receptor D3 expressed in CHO cells ChEMBL. 10560741
Ki (binding) = 49000 nM Displacement of [3H]-spiperone from human Dopamine receptor D2L expressed in CHO cells ChEMBL. 10560741
Ki (binding) = 49000 nM Displacement of [3H]-spiperone from human Dopamine receptor D2L expressed in CHO cells ChEMBL. 10560741
Ki (binding) = 61000 nM Displacement of [3H]-SCH-23,390 from bovine striatal membrane Dopamine receptor D1 ChEMBL. 10560741
Ki (binding) = 61000 nM Displacement of [3H]-SCH-23,390 from bovine striatal membrane Dopamine receptor D1 ChEMBL. 10560741
Ki (binding) = 65000 nM Displacement of [3H]-spiperone from human Dopamine receptor D2S expressed in CHO cells ChEMBL. 10560741
Ki (binding) = 65000 nM Displacement of [3H]-spiperone from human Dopamine receptor D2S expressed in CHO cells ChEMBL. 10560741

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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