Detailed information for compound 983861

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 396.483 | Formula: C22H28N4O3
  • H donors: 0 H acceptors: 4 LogP: 2.46 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)CCCCC(=O)N1CCN(CC1)c1nccc(n1)Oc1cccc(c1)C
  • InChi: 1S/C22H28N4O3/c1-17-6-5-8-19(16-17)29-20-10-11-23-22(24-20)26-14-12-25(13-15-26)21(28)9-4-3-7-18(2)27/h5-6,8,10-11,16H,3-4,7,9,12-15H2,1-2H3
  • InChiKey: VMTQEBFTRUMALB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Leishmania major cytochrome p450-like protein 0.0086 1 0.5
Trypanosoma brucei cytochrome P450, putative 0.0086 1 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0086 1 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0086 1 1
Trypanosoma cruzi cytochrome P450, putative 0.0086 1 0.5
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0086 1 0.5
Loa Loa (eye worm) CYP4Cod1 0.0086 1 1
Brugia malayi Cytochrome P450 family protein 0.0086 1 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0086 1 1

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 0 % Inhibition of JAK3 at 10 uM by HTRF assay relative to control ChEMBL. 18479119
Inhibition (binding) = 0 % Inhibition of Lck at 10 uM by HTRF assay relative to control ChEMBL. 18479119
Inhibition (binding) = 0 % Inhibition of ZAP70 at 10 uM by HTRF assay relative to control ChEMBL. 18479119
Inhibition (binding) = 0 % Inhibition of AKT1/PKBalpha at 10 uM by HTRF assay relative to control ChEMBL. 18479119
Inhibition (binding) = 0 % Inhibition of PKCalpha at 10 uM by HTRF assay relative to control ChEMBL. 18479119
Inhibition (binding) = 0 % Inhibition of PKCgamma at 10 uM by HTRF assay relative to control ChEMBL. 18479119
Inhibition (binding) = 0 % Inhibition of ROCK2 at 10 uM by HTRF assay relative to control ChEMBL. 18479119
Inhibition (binding) = 0 % Inhibition of TrkA at 10 uM by HTRF assay relative to control ChEMBL. 18479119
Inhibition (binding) = 0 % Inhibition of RSK2 at 10 uM by HTRF assay relative to control ChEMBL. 18479119
Inhibition (binding) = 0 % Inhibition of IGF1R at 10 uM by HTRF assay relative to control ChEMBL. 18479119
Inhibition (binding) = 0 % Inhibition of FLT3 at 10 uM by HTRF assay relative to control ChEMBL. 18479119
Inhibition (binding) = 0 % Inhibition of EphB4 at 10 uM by HTRF assay relative to control ChEMBL. 18479119
Inhibition (binding) = 0 % Inhibition of EGFR at 10 uM by HTRF assay relative to control ChEMBL. 18479119
Inhibition (binding) = 0 % Inhibition of p38-gamma at 10 uM by HTRF assay relative to control ChEMBL. 18479119
Inhibition (binding) = 0 % Inhibition of ERK2 at 10 uM by HTRF assay relative to control ChEMBL. 18479119
Inhibition (binding) = 0 % Inhibition of CDK1 at 10 uM by HTRF assay relative to control ChEMBL. 18479119
Inhibition (binding) = 0 % Inhibition of CHK2 at 10 uM by HTRF assay relative to control ChEMBL. 18479119
Inhibition (binding) = 0 % Inhibition of CaMK4 at 10 uM by HTRF assay relative to control ChEMBL. 18479119
Inhibition (binding) = 0 % Inhibition of CaMK2alpha at 10 uM by HTRF assay relative to control ChEMBL. 18479119
Inhibition (binding) = 1 % Inhibition of Abl at 10 uM by HTRF assay relative to control ChEMBL. 18479119
Inhibition (binding) = 1 % Inhibition of FLT1 at 10 uM by HTRF assay relative to control ChEMBL. 18479119
Inhibition (binding) = 1 % Inhibition of MAPKAPK2 at 10 uM by HTRF assay relative to control ChEMBL. 18479119
Inhibition (binding) = 2 % Inhibition of PDK1 at 10 uM by HTRF assay relative to control ChEMBL. 18479119
Inhibition (binding) = 3 % Inhibition of Brk at 10 uM by HTRF assay relative to control ChEMBL. 18479119
Inhibition (binding) = 3 % Inhibition of Lyn at 10 uM by HTRF assay relative to control ChEMBL. 18479119
Inhibition (binding) = 3 % Inhibition of p70S6K at 10 uM by HTRF assay relative to control ChEMBL. 18479119
Inhibition (binding) = 4 % Inhibition of FAK at 10 uM by HTRF assay relative to control ChEMBL. 18479119
Inhibition (binding) = 4 % Inhibition of PDGFRbeta at 10 uM by HTRF assay relative to control ChEMBL. 18479119
Inhibition (binding) = 4 % Inhibition of IKK-beta at 10 uM by HTRF assay relative to control ChEMBL. 18479119
Inhibition (binding) = 4 % Inhibition of CHK1 at 10 uM by HTRF assay relative to control ChEMBL. 18479119
Inhibition (binding) = 5 % Inhibition of Src at 10 uM by HTRF assay relative to control ChEMBL. 18479119
Inhibition (binding) = 8 % Inhibition of JNK1 at 10 uM by HTRF assay relative to control ChEMBL. 18479119
Inhibition (binding) = 10 % Inhibition of p38alpha at 10 uM by HTRF assay relative to control ChEMBL. 18479119
Inhibition (binding) = 10 % Inhibition of CDK2 at 10 uM by HTRF assay relative to control ChEMBL. 18479119
Inhibition (binding) = 11 % Inhibition of FGFR1 at 10 uM by HTRF assay relative to control ChEMBL. 18479119
Inhibition (binding) = 11 % Inhibition of JNK2 at 10 uM by HTRF assay relative to control ChEMBL. 18479119
Inhibition (binding) = 14 % Inhibition of KDR at 10 uM by HTRF assay relative to control ChEMBL. 18479119
Inhibition (binding) = 16 % Inhibition of FES at 10 uM by HTRF assay relative to control ChEMBL. 18479119

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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