Detailed information for compound 776535

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 351.442 | Formula: C21H25N3O2
  • H donors: 1 H acceptors: 2 LogP: 2.87 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCNC(=O)c1ccc(cc1)OC1CCN(CC1)Cc1ccccn1
  • InChi: 1S/C21H25N3O2/c1-2-12-23-21(25)17-6-8-19(9-7-17)26-20-10-14-24(15-11-20)16-18-5-3-4-13-22-18/h2-9,13,20H,1,10-12,14-16H2,(H,23,25)
  • InChiKey: GKOXNORBGYQHBW-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
Trichomonas vaginalis CAMK family protein kinase 0.0101 0.2157 1
Brugia malayi mbt repeat family protein 0.0053 0.047 0.0602
Trichomonas vaginalis CAMK family protein kinase 0.0101 0.2157 1
Loa Loa (eye worm) RNA binding protein 0.0132 0.3229 0.4136
Schistosoma mansoni hypothetical protein 0.0186 0.5117 0.5117
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0041 0.0052 0.5
Trypanosoma cruzi polo-like protein kinase, putative 0.0101 0.2157 1
Schistosoma mansoni tar DNA-binding protein 0.0132 0.3229 0.3229
Schistosoma mansoni tar DNA-binding protein 0.0132 0.3229 0.3229
Schistosoma mansoni sex comb on midleg homolog 0.0053 0.047 0.047
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0262 0.7806 1
Trichomonas vaginalis CAMK family protein kinase 0.005 0.037 0.1718
Echinococcus multilocularis inositol monophosphatase 1 0.0041 0.0052 0.0087
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.006 0.0726 0.1202
Echinococcus granulosus geminin 0.0186 0.5117 0.8468
Schistosoma mansoni inositol monophosphatase 0.0041 0.0052 0.0052
Brugia malayi mbt repeat family protein 0.0053 0.047 0.0602
Echinococcus multilocularis polycomb protein SCMH1 0.0053 0.047 0.0778
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.006 0.0726 0.1202
Plasmodium vivax hypothetical protein, conserved 0.0039 0 0.5
Schistosoma mansoni kinase 0.0051 0.0417 0.0417
Schistosoma mansoni tar DNA-binding protein 0.0132 0.3229 0.3229
Echinococcus granulosus tar DNA binding protein 0.0132 0.3229 0.5343
Mycobacterium leprae Probable lipase LipE 0.0039 0 0.5
Brugia malayi serine/threonine-protein kinase plk-2 0.0101 0.2157 0.2763
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0041 0.0052 1
Trichomonas vaginalis CAMK family protein kinase 0.0101 0.2157 1
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0212 0.6043 1
Schistosoma mansoni tar DNA-binding protein 0.0132 0.3229 0.3229
Echinococcus granulosus histone acetyltransferase MYST2 0.006 0.0726 0.1202
Trichomonas vaginalis CAMK family protein kinase 0.0101 0.2157 1
Schistosoma mansoni tar DNA-binding protein 0.0132 0.3229 0.3229
Entamoeba histolytica serine/threonine protein kinase, putative 0.0101 0.2157 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0052 0.0243
Giardia lamblia Kinase, PLK 0.0101 0.2157 0.5
Echinococcus multilocularis SAM and MBT domain containing protein 0.0053 0.047 0.0778
Echinococcus granulosus SAM and MBT domain containing protein 0.0053 0.047 0.0778
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0041 0.0052 0.0243
Echinococcus granulosus polycomb protein SCMH1 0.0053 0.047 0.0778
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0041 0.0052 0.0243
Echinococcus multilocularis histone acetyltransferase MYST2 0.006 0.0726 0.1202
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0101 0.2157 1
Brugia malayi RNA binding protein 0.0132 0.3229 0.4136
Loa Loa (eye worm) inositol-1 0.0041 0.0052 0.0067
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0101 0.2157 0.2763
Loa Loa (eye worm) TAR-binding protein 0.0132 0.3229 0.4136
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0132 0.3229 0.4136
Trypanosoma brucei polo-like protein kinase 0.0101 0.2157 1
Onchocerca volvulus 0.0053 0.047 0.218
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0394 0.0652
Loa Loa (eye worm) mbt repeat family protein 0.0053 0.047 0.0602
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.0394 0.0505
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0394 0.0394
Trichomonas vaginalis CAMK family protein kinase 0.005 0.037 0.1718
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0252 0.7439 1
Echinococcus multilocularis geminin 0.0186 0.5117 0.8468
Brugia malayi Inositol-1 0.0041 0.0052 0.0067
Trichomonas vaginalis inositol monophosphatase, putative 0.0041 0.0052 0.0243
Loa Loa (eye worm) hypothetical protein 0.006 0.0726 0.093
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0394 0.0394
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0394 0.0652
Schistosoma mansoni inositol monophosphatase 0.0041 0.0052 0.0052
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.006 0.0726 0.093
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.0394 0.0505
Onchocerca volvulus Serine\/threonine kinase homolog 0.0101 0.2157 1
Echinococcus multilocularis tar DNA binding protein 0.0132 0.3229 0.5343
Loa Loa (eye worm) MBCTL1 0.006 0.0726 0.093
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0212 0.6043 1
Trichomonas vaginalis CAMK family protein kinase 0.0101 0.2157 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0041 0.0052 1
Mycobacterium leprae conserved hypothetical protein 0.0039 0 0.5
Schistosoma mansoni hypothetical protein 0.0186 0.5117 0.5117
Trypanosoma cruzi polo-like protein kinase, putative 0.0101 0.2157 1
Schistosoma mansoni sex comb on midleg homolog 0.0053 0.047 0.047
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0394 0.0652
Loa Loa (eye worm) hypothetical protein 0.0053 0.047 0.0602
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0394 0.0394
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0101 0.2157 0.3569
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0101 0.2157 0.3569
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0052 0.0243
Brugia malayi RNA recognition motif domain containing protein 0.0132 0.3229 0.4136
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0394 0.0652
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0052 0.0243
Trichomonas vaginalis CAMK family protein kinase 0.0101 0.2157 1
Schistosoma mansoni myelin transcription factor 1 myt1 0.006 0.0726 0.0726
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0052 0.0243
Trichomonas vaginalis CAMK family protein kinase 0.0101 0.2157 1
Brugia malayi follicle stimulating hormone receptor 0.0262 0.7806 1
Echinococcus granulosus inositol monophosphatase 1 0.0041 0.0052 0.0087
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0053 0.047 0.218
Brugia malayi TAR-binding protein 0.0132 0.3229 0.4136
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0053 0.047 0.047
Schistosoma mansoni serine/threonine protein kinase 0.0101 0.2157 0.2157

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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