Detailed information for compound 1723714

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 509.04 | Formula: C28H33ClN4O3
  • H donors: 1 H acceptors: 2 LogP: 4.57 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 2
  • SMILES: C1C=CCOCc2cc(ccc2OCCN2CCCC2)Nc2nc(c3cc(CO1)ccc3)ccn2.Cl
  • InChi: 1S/C28H32N4O3.ClH/c1-2-13-32(12-1)14-17-35-27-9-8-25-19-24(27)21-34-16-4-3-15-33-20-22-6-5-7-23(18-22)26-10-11-29-28(30-25)31-26;/h3-11,18-19H,1-2,12-17,20-21H2,(H,29,30,31);1H
  • InChiKey: BCWCXLSAGITLKT-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
Echinococcus granulosus plexin a4 0.0651 0.5296 0.5296
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0114 0.0676 0.0676
Schistosoma mansoni plexin 0.0313 0.2391 0.542
Schistosoma mansoni tyrosine kinase 0.0082 0.0399 0.0905
Echinococcus granulosus exocyst complex component 2 0.0103 0.0582 0.0582
Loa Loa (eye worm) hypothetical protein 0.0548 0.4411 0.8329
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0079 0.0377 0.0377
Schistosoma mansoni semaphorin 5-related 0.0235 0.1717 0.3893
Echinococcus multilocularis geminin 0.0196 0.138 0.192
Echinococcus multilocularis Immunoglobulin 0.0076 0.0348 0.0484
Echinococcus granulosus transcription factor collier 0.0103 0.0582 0.0582
Loa Loa (eye worm) hypothetical protein 0.0103 0.0582 0.1099
Schistosoma mansoni hypothetical protein 0.0196 0.138 0.3129
Brugia malayi Immunoglobulin I-set domain containing protein 0.0076 0.0348 0.0657
Schistosoma mansoni vesicular amine transporter 0.0076 0.0348 0.0789
Echinococcus granulosus epidermal growth factor receptor 0.0182 0.1265 0.1265
Schistosoma mansoni tyrosine kinase 0.0041 0.0052 0.0118
Loa Loa (eye worm) TK/ROR protein kinase 0.0038 0.0023 0.0043
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0103 0.0582 1
Loa Loa (eye worm) sema domain-containing protein 0.0235 0.1717 0.3242
Trichomonas vaginalis conserved hypothetical protein 0.0103 0.0582 1
Echinococcus granulosus Immunoglobulin 0.0076 0.0348 0.0348
Echinococcus multilocularis transcription factor collier 0.0103 0.0582 0.081
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0103 0.0582 1
Trichomonas vaginalis conserved hypothetical protein 0.0103 0.0582 1
Schistosoma mansoni hypothetical protein 0.0235 0.1717 0.3893
Echinococcus granulosus tyrosine protein kinase transmembrane receptor 0.0038 0.0023 0.0023
Loa Loa (eye worm) hypothetical protein 0.0076 0.0348 0.0657
Echinococcus granulosus semaphorin 1A 0.0235 0.1717 0.1717
Echinococcus multilocularis exocyst complex component 2 0.0103 0.0582 0.081
Echinococcus multilocularis hypothetical protein 0.0235 0.1717 0.2389
Entamoeba histolytica hypothetical protein 0.0103 0.0582 0.6577
Echinococcus multilocularis neuroglian 0.0078 0.0371 0.0516
Brugia malayi Immunoglobulin I-set domain containing protein 0.0268 0.2003 0.3782
Echinococcus multilocularis 0.0046 0.0091 0.0126
Echinococcus granulosus roundabout 2 0.0082 0.04 0.04
Loa Loa (eye worm) hypothetical protein 0.0082 0.04 0.0755
Brugia malayi Sema domain containing protein 0.0235 0.1717 0.3242
Loa Loa (eye worm) hypothetical protein 0.0103 0.0582 0.1099
Loa Loa (eye worm) TK/INSR protein kinase 0.0082 0.0399 0.0754
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0082 0.0399 0.0555
Loa Loa (eye worm) hypothetical protein 0.0235 0.1717 0.3242
Echinococcus multilocularis tyrosine protein kinase transmembrane receptor 0.0038 0.0023 0.0032
Entamoeba histolytica tyrosin kinase, putative 0.0138 0.0885 1
Schistosoma mansoni tyrosine kinase 0.0114 0.0676 0.1533
Echinococcus granulosus semaphorin 5B 0.0235 0.1717 0.1717
Onchocerca volvulus Tyrosine kinase homolog 0.0192 0.1346 0.3051
Entamoeba histolytica hypothetical protein 0.0103 0.0582 0.6577
Loa Loa (eye worm) hypothetical protein 0.0103 0.0582 0.1099
Loa Loa (eye worm) sema domain-containing protein 0.0235 0.1717 0.3242
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0268 0.2003 0.3782
Entamoeba histolytica protein kinase domain containing protein 0.0138 0.0885 1
Schistosoma mansoni tyrosine kinase 0.0079 0.0373 0.0846
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0076 0.0348 0.0789
Brugia malayi hypothetical protein 0.0076 0.0348 0.0657
Entamoeba histolytica cell surface protease gp63, putative 0.0103 0.0582 0.6577
Brugia malayi hypothetical protein 0.0235 0.1717 0.3242
Echinococcus granulosus insulin receptor 0.0082 0.0399 0.0399
Trichomonas vaginalis conserved hypothetical protein 0.0103 0.0582 1
Onchocerca volvulus 0.0548 0.4411 1
Brugia malayi Fibronectin type III domain containing protein 0.0076 0.0348 0.0657
Echinococcus multilocularis roundabout 2 0.0082 0.04 0.0556
Echinococcus granulosus neuroglian 0.0078 0.0371 0.0371
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0076 0.0348 0.0484
Loa Loa (eye worm) hypothetical protein 0.0076 0.0348 0.0657
Echinococcus multilocularis insulin receptor 0.0082 0.0399 0.0555
Loa Loa (eye worm) hypothetical protein 0.0235 0.1717 0.3242
Echinococcus multilocularis plexin a4 0.0651 0.5296 0.7367
Trichomonas vaginalis conserved hypothetical protein 0.0103 0.0582 1
Loa Loa (eye worm) hypothetical protein 0.0235 0.1717 0.3242
Loa Loa (eye worm) hypothetical protein 0.0313 0.2391 0.4515
Trichomonas vaginalis conserved hypothetical protein 0.0103 0.0582 1
Entamoeba histolytica hypothetical protein 0.0103 0.0582 0.6577
Brugia malayi hypothetical protein 0.0235 0.1717 0.3242
Schistosoma mansoni tyrosine kinase 0.0079 0.0373 0.0846
Schistosoma mansoni tyrosine kinase 0.0182 0.1265 0.2867
Loa Loa (eye worm) hypothetical protein 0.0235 0.1717 0.3242
Schistosoma mansoni hypothetical protein 0.0196 0.138 0.3129
Schistosoma mansoni hypothetical protein 0.0313 0.2391 0.542
Brugia malayi Immunoglobulin I-set domain containing protein 0.0038 0.0023 0.0043
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0076 0.0348 0.0789
Loa Loa (eye worm) hypothetical protein 0.0082 0.04 0.0755
Loa Loa (eye worm) hypothetical protein 0.0103 0.0582 0.1099
Echinococcus granulosus twitchin 0.0078 0.0371 0.0371
Echinococcus granulosus neuropeptide receptor A26 0.0871 0.7188 0.7188
Schistosoma mansoni hypothetical protein 0.0103 0.0582 0.132
Brugia malayi plexin A 0.0651 0.5296 1
Schistosoma mansoni nephrin 0.0078 0.0371 0.0841
Schistosoma mansoni tyrosine kinase 0.0114 0.0676 0.1533
Echinococcus multilocularis neuropeptide receptor A26 0.0871 0.7188 1
Brugia malayi Protein kinase domain containing protein 0.0082 0.0399 0.0754
Schistosoma mansoni tyrosine kinase 0.0082 0.0399 0.0905
Schistosoma mansoni hypothetical protein 0.0103 0.0582 0.132
Echinococcus granulosus neuropeptide s receptor 0.0871 0.7188 0.7188
Loa Loa (eye worm) TK/EGFR protein kinase 0.0182 0.1265 0.2388
Echinococcus granulosus geminin 0.0196 0.138 0.138
Brugia malayi Probable exocyst complex component Sec5 0.0103 0.0582 0.1099
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0103 0.0582 1
Loa Loa (eye worm) hypothetical protein 0.0079 0.0377 0.0712
Loa Loa (eye worm) hypothetical protein 0.0076 0.0348 0.0657
Brugia malayi IPT/TIG domain containing protein 0.0103 0.0582 0.1099
Brugia malayi Furin-like cysteine rich region family protein 0.0182 0.1265 0.2388
Echinococcus multilocularis semaphorin 5B 0.0235 0.1717 0.2389
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0103 0.0582 1
Onchocerca volvulus 0.0235 0.1717 0.3893
Loa Loa (eye worm) hypothetical protein 0.0076 0.0348 0.0657
Brugia malayi DNA-binding protein LAG-1 0.0103 0.0582 0.1099
Schistosoma mansoni fibrocystin l 0.0103 0.0582 0.132
Echinococcus multilocularis neuropeptide s receptor 0.0871 0.7188 1
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0103 0.0582 1
Echinococcus multilocularis epidermal growth factor receptor 0.0114 0.0676 0.0941
Echinococcus granulosus defective proboscis extension response 0.0076 0.0348 0.0348
Echinococcus multilocularis epidermal growth factor receptor 0.0182 0.1265 0.1759
Trichomonas vaginalis conserved hypothetical protein 0.0103 0.0582 1
Brugia malayi Sema domain containing protein 0.0235 0.1717 0.3242
Loa Loa (eye worm) plexin A 0.0651 0.5296 1
Onchocerca volvulus 0.0154 0.102 0.2312
Schistosoma mansoni tyrosine kinase 0.0079 0.0373 0.0846
Schistosoma mansoni plexin 0.0548 0.4411 1
Loa Loa (eye worm) hypothetical protein 0.0235 0.1717 0.3242
Schistosoma mansoni hypothetical protein 0.0235 0.1717 0.3893
Schistosoma mansoni cell adhesion molecule 0.0079 0.0377 0.0855
Echinococcus granulosus epidermal growth factor receptor 0.0114 0.0676 0.0676
Trichomonas vaginalis conserved hypothetical protein 0.0103 0.0582 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.0348 0.0657
Brugia malayi Plexin repeat family protein 0.0548 0.4411 0.8329
Loa Loa (eye worm) hypothetical protein 0.0076 0.0348 0.0657
Entamoeba histolytica hypothetical protein 0.0103 0.0582 0.6577
Echinococcus multilocularis Immunoglobulin 0.0076 0.0348 0.0484
Loa Loa (eye worm) TK protein kinase 0.0038 0.0023 0.0043
Loa Loa (eye worm) hypothetical protein 0.0235 0.1717 0.3242
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0082 0.0399 0.0399

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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