Detailed information for compound 1669084

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 532.635 | Formula: C32H32N6O2
  • H donors: 4 H acceptors: 2 LogP: 4.4 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: CN1CCN(CC1)c1cc(C)cc(c1)C(=O)Nc1cccc(c1)Nc1ccc2c(c1)NC(=O)/C/2=C\c1ccc[nH]1
  • InChi: 1S/C32H32N6O2/c1-21-15-22(17-27(16-21)38-13-11-37(2)12-14-38)31(39)35-25-6-3-5-24(18-25)34-26-8-9-28-29(19-23-7-4-10-33-23)32(40)36-30(28)20-26/h3-10,15-20,33-34H,11-14H2,1-2H3,(H,35,39)(H,36,40)/b29-19-
  • InChiKey: IBCNIGDAKZQAFQ-CEUNXORHSA-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 neurotrophic tyrosine kinase, receptor, type 1 Starlite/ChEMBL References
Homo sapiens neurotrophic tyrosine kinase, receptor, type 3 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 Peroxidasin neurotrophic tyrosine kinase, receptor, type 3 612 aa 491 aa 21.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis neuroglian 0.0012 0.2738 0.3771
Brugia malayi Immunoglobulin I-set domain containing protein 0.0011 0.1461 0.1461
Echinococcus granulosus neuroglian 0.0012 0.2738 0.3771
Echinococcus multilocularis slit 2 protein 0.0016 0.7262 1
Schistosoma mansoni nephrin 0.0012 0.2738 1
Echinococcus multilocularis roundabout 2 0.0012 0.2738 0.3771
Brugia malayi EGF-like domain containing protein 0.0016 0.7262 0.7262
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0018 1 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.7262 0.7262
Loa Loa (eye worm) hypothetical protein 0.0012 0.2738 0.2738
Loa Loa (eye worm) hypothetical protein 0.0012 0.2738 0.2738
Loa Loa (eye worm) hypothetical protein 0.001 0.0278 0.0278
Onchocerca volvulus Slit protein homolog 0.0016 0.7262 1
Echinococcus granulosus roundabout 2 0.0012 0.2738 0.3771
Echinococcus granulosus slit 2 protein 0.0016 0.7262 1
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0011 0.1461 0.1461
Echinococcus granulosus twitchin 0.0012 0.2738 0.3771

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.016 uM Inhibition of TRKA by HTRF assay ChEMBL. 24900443
IC50 (binding) = 0.097 uM Inhibition of TRKC by HTRF assay ChEMBL. 24900443

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.