Detailed information for compound 509462

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 362.256 | Formula: C17H17Cl2N5
  • H donors: 2 H acceptors: 2 LogP: 4.06 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cc2ncn(c2cc1Cl)c1cccc(n1)NC1CCNCC1
  • InChi: 1S/C17H17Cl2N5/c18-12-8-14-15(9-13(12)19)24(10-21-14)17-3-1-2-16(23-17)22-11-4-6-20-7-5-11/h1-3,8-11,20H,4-7H2,(H,22,23)
  • InChiKey: CMGFJRFIZZFQRT-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens interleukin-1 receptor-associated kinase 4 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
Brugia malayi acetyltransferase, GNAT family protein 0.0166 0.3185 0.2784
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0067 0.0615 0.0615
Trypanosoma cruzi Emopamil binding protein, putative 0.0157 0.2965 0.2367
Trypanosoma cruzi 3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative 0.0157 0.2965 0.2367
Echinococcus granulosus lysine specific demethylase 5A 0.0067 0.0615 0.0615
Echinococcus granulosus histone acetyltransferase KAT2B 0.0161 0.3064 0.3064
Echinococcus granulosus histone acetyltransferase KAT2B 0.0049 0.0132 0.0132
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0049 0.0132 0.5
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0076 0.083 1
Loa Loa (eye worm) hypothetical protein 0.0215 0.4477 0.4182
Trichomonas vaginalis bromodomain-containing protein, putative 0.0049 0.0132 0.5
Leishmania major 3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative 0.0157 0.2965 0.2367
Trypanosoma brucei Emopamil binding protein, putative 0.0157 0.2965 0.2367
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0076 0.083 0.0233
Trypanosoma cruzi 3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative 0.0157 0.2965 0.2367
Leishmania major hypothetical protein, conserved 0.0157 0.2965 0.2367
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0166 0.3185 0.3185
Echinococcus multilocularis lysine specific demethylase 5A 0.0067 0.0615 0.0615
Onchocerca volvulus 0.0157 0.2965 0.5
Trypanosoma brucei C-8 sterol isomerase, putative 0.0421 0.985 1
Leishmania major C-8 sterol isomerase-like protein 0.0421 0.985 1
Loa Loa (eye worm) acetyltransferase 0.0166 0.3185 0.2784
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0421 0.985 1
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0049 0.0132 0.5
Echinococcus multilocularis expressed protein 0.0427 1 1
Plasmodium falciparum histone acetyltransferase GCN5 0.0045 0.0026 0.5
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0076 0.083 0.0836
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0076 0.083 0.083
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0067 0.0615 0.0615
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0421 0.985 1
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0076 0.083 0.0233
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0049 0.0132 0.5
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0049 0.0132 0.5
Loa Loa (eye worm) hypothetical protein 0.0421 0.985 1
Trypanosoma cruzi Emopamil binding protein, putative 0.0157 0.2965 0.2367
Giardia lamblia Histone acetyltransferase GCN5 0.0045 0.0026 0.5
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0076 0.083 0.083
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0166 0.3185 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 166 nM Inhibition of IRAK4 (unknown origin) ChEMBL. 18501603
IC50 (binding) = 166 nM Inhibition of IRAK4 (unknown origin) ChEMBL. 18501603

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

No external resources registered 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.