Detailed information for compound 1580678

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 533.462 | Formula: C28H31Cl2FN2O3
  • H donors: 1 H acceptors: 2 LogP: 6.01 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC(CN1CCN(CC1)c1ccccc1Cl)COc1ccc(cc1C(=O)CCc1ccccc1)F.Cl
  • InChi: 1S/C28H30ClFN2O3.ClH/c29-25-8-4-5-9-26(25)32-16-14-31(15-17-32)19-23(33)20-35-28-13-11-22(30)18-24(28)27(34)12-10-21-6-2-1-3-7-21;/h1-9,11,13,18,23,33H,10,12,14-17,19-20H2;1H
  • InChiKey: MSYBTDDLPKULLP-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
Schistosoma mansoni growth factor receptor-bound protein 0.0067 0.0062 0.0082
Echinococcus multilocularis carnitine O palmitoyltransferase 2 0.052 0.2002 0.2535
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0076 0.0102 0.0053
Echinococcus granulosus tyrosine protein kinase Fyn 0.0076 0.0102 0.0053
Brugia malayi Sex muscle abnormal protein 5 0.0067 0.0062 0.0062
Brugia malayi Variant SH3 domain containing protein 0.0067 0.0062 0.0062
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.1151 0.4695 1
Loa Loa (eye worm) hypothetical protein 0.2392 1 1
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0076 0.0102 0.0053
Schistosoma mansoni tyrosine kinase 0.0076 0.0102 0.0135
Onchocerca volvulus 0.0273 0.0945 0.5
Onchocerca volvulus 0.0273 0.0945 0.5
Brugia malayi Choline O-acetyltransferase 0.0273 0.0945 0.0945
Echinococcus granulosus tyrosine protein kinase Src64B 0.0076 0.0102 0.0053
Schistosoma mansoni tyrosine kinase 0.0076 0.0102 0.0135
Loa Loa (eye worm) hypothetical protein 0.0067 0.0062 0.0062
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0076 0.0102 0.0053
Schistosoma mansoni adapter molecule crk 0.0067 0.0062 0.0082
Onchocerca volvulus 0.0273 0.0945 0.5
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0076 0.0102 0.0053
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0067 0.0062 0.0062
Echinococcus granulosus carnitine O palmitoyltransferase 2 0.052 0.2002 0.2535
Loa Loa (eye worm) choline O-acetyltransferase 0.0273 0.0945 0.0945
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0076 0.0102 0.0135
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0076 0.0102 0.0053
Echinococcus granulosus tyrosine protein kinase Lyn 0.0076 0.0102 0.0053
Schistosoma mansoni choline o-acyltransferase 0.0273 0.0945 0.1247
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.052 0.2002 1
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0076 0.0102 0.0053
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0067 0.0062 0.0082
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0067 0.0062 0.0062
Loa Loa (eye worm) SRC-1 0.0076 0.0102 0.0102
Schistosoma mansoni choline o-acyltransferase 0.0273 0.0945 0.1247
Leishmania major carnitine palmitoyltransferase-like protein 0.052 0.2002 0.2819
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.052 0.2002 0.2002
Echinococcus multilocularis carnitine O palmitoyltransferase 1, liver 0.1151 0.4695 0.6054
Schistosoma mansoni tyrosine kinase 0.0076 0.0102 0.0135
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0273 0.0945 0.0945
Trypanosoma cruzi carnitine O-palmitoyltransferase II, putative 0.052 0.2002 0.2819
Brugia malayi Variant SH3 domain containing protein 0.0067 0.0062 0.0062
Schistosoma mansoni tyrosine kinase 0.1824 0.7574 1
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.1857 0.7715 1
Leishmania major choline/Carnitine o-acyltransferase-like protein 0.1151 0.4695 1
Echinococcus granulosus c src tyrosine kinase 0.0076 0.0102 0.0053
Schistosoma mansoni tyrosine kinase 0.0076 0.0102 0.0135
Schistosoma mansoni growth factor receptor-bound protein 0.0067 0.0062 0.0082
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0076 0.0102 0.0053
Echinococcus multilocularis c src tyrosine kinase 0.0076 0.0102 0.0053
Loa Loa (eye worm) carnitine O-palmitoyltransferase I isoform 0.0273 0.0945 0.0945
Echinococcus granulosus tyrosine protein kinase Btk29A 0.1857 0.7715 1
Echinococcus multilocularis tyrosine protein kinase Abl 0.0076 0.0102 0.0053
Brugia malayi Tyrosine-protein kinase abl-1 0.0076 0.0102 0.0102
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.1151 0.4695 1
Schistosoma mansoni nck2/grb4 0.0067 0.0062 0.0082
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0076 0.0102 0.0053
Loa Loa (eye worm) choline/Carnitine O-acyltransferase 0.052 0.2002 0.2002
Brugia malayi Choline O-acetyltransferase 0.0273 0.0945 0.0945
Echinococcus granulosus choline O acetyltransferase 0.0273 0.0945 0.1153
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0076 0.0102 0.0053
Onchocerca volvulus 0.0273 0.0945 0.5
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0076 0.0102 0.0053
Brugia malayi SRC-1 0.0076 0.0102 0.0102
Echinococcus granulosus tyrosine protein kinase Src42A 0.0076 0.0102 0.0053
Echinococcus granulosus tyrosine protein kinase Fyn 0.0076 0.0102 0.0053
Echinococcus granulosus carnitine O palmitoyltransferase 1 liver 0.1151 0.4695 0.6054
Loa Loa (eye worm) hypothetical protein 0.0273 0.0945 0.0945
Echinococcus multilocularis choline O acetyltransferase 0.0273 0.0945 0.1153
Echinococcus granulosus tyrosine protein kinase Fyn 0.0076 0.0102 0.0053
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0076 0.0102 0.0053

Activities

No activities found for this compound.

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

No literature references available for this target.

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