Detailed information for compound 1028347

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 456.619 | Formula: C30H36N2O2
  • H donors: 2 H acceptors: 0 LogP: 6.23 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(c2c1cccc2)CNCCCCCCNCc1ccc(c2c1cccc2)OC
  • InChi: 1S/C30H36N2O2/c1-33-29-17-15-23(25-11-5-7-13-27(25)29)21-31-19-9-3-4-10-20-32-22-24-16-18-30(34-2)28-14-8-6-12-26(24)28/h5-8,11-18,31-32H,3-4,9-10,19-22H2,1-2H3
  • InChiKey: ORXWMWNPVYCSGN-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
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.2479 0.2479
Schistosoma mansoni lamin 0.0026 0.0814 0.1399
Schistosoma mansoni tar DNA-binding protein 0.0063 0.3526 0.6057
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0077 0.4622 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0077 0.4622 0.794
Schistosoma mansoni ap endonuclease 0.0019 0.024 0.0412
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.5821 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0077 0.4622 1
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.024 0.024
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.2227 0.3826
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0077 0.4622 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.3526 0.6057
Entamoeba histolytica hypothetical protein 0.0036 0.1507 0.227
Giardia lamblia Kinase, PLK 0.0093 0.5821 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.2227 0.3826
Entamoeba histolytica hypothetical protein 0.0036 0.1507 0.227
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.2302 0.3695
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.1507 0.2588
Loa Loa (eye worm) hypothetical protein 0.0026 0.0778 0.0778
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0051 0.2634 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.024 0.024
Loa Loa (eye worm) hypothetical protein 0.0149 1 1
Loa Loa (eye worm) TAR-binding protein 0.0063 0.3526 0.3526
Loa Loa (eye worm) hypothetical protein 0.0121 0.789 0.789
Schistosoma mansoni lamin 0.0026 0.0814 0.1399
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.2479 0.2479
Echinococcus granulosus lamin 0.0026 0.0814 0.1399
Brugia malayi Probable ClpP-like protease 0.0077 0.4622 0.4622
Entamoeba histolytica hypothetical protein 0.0036 0.1507 0.227
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.2227 0.3826
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.3526 0.3526
Trypanosoma brucei polo-like protein kinase 0.0093 0.5821 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0077 0.4622 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.2227 0.2227
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.5821 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0027 0.084 0.137
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.2227 0.3826
Echinococcus multilocularis musashi 0.0026 0.0814 0.1399
Echinococcus granulosus peptidase Clp S14 family 0.0051 0.2634 0.4525
Entamoeba histolytica serine/threonine protein kinase, putative 0.0093 0.5821 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0814 0.0814
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0051 0.2634 0.4744
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.5821 1
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.1507 0.2588
Brugia malayi serine/threonine-protein kinase plk-2 0.0093 0.5821 0.5821
Onchocerca volvulus Serine\/threonine kinase homolog 0.0093 0.5821 0.545
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.2227 0.3826
Schistosoma mansoni ap endonuclease 0.0019 0.024 0.0412
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0814 0.0814
Brugia malayi intermediate filament protein 0.0026 0.0814 0.0814
Entamoeba histolytica hypothetical protein 0.0036 0.1507 0.227
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0077 0.4622 0.794
Schistosoma mansoni serine/threonine protein kinase 0.0093 0.5821 1
Brugia malayi RNA binding protein 0.0063 0.3526 0.3526
Toxoplasma gondii hypothetical protein 0.0027 0.084 0.137
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0077 0.4622 1
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.5821 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.3526 0.6057
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.2227 0.3826
Brugia malayi TAR-binding protein 0.0063 0.3526 0.3526
Echinococcus multilocularis lamin 0.0026 0.0814 0.1399
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.5821 1
Onchocerca volvulus Huntingtin homolog 0.0121 0.789 0.7703
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0093 0.5821 0.5821
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.5821 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0093 0.5821 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.2479 0.2479
Echinococcus granulosus tar DNA binding protein 0.0063 0.3526 0.6057
Echinococcus granulosus lamin dm0 0.0026 0.0814 0.1399
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.2302 0.3695
Schistosoma mansoni kinase 0.0047 0.2394 0.4113
Schistosoma mansoni hypothetical protein 0.0036 0.1507 0.2588
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.2479 0.2479
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.3526 0.3526
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0027 0.084 0.137
Brugia malayi hypothetical protein 0.0121 0.789 0.789
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.4622 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.1507 0.2588
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.5821 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0077 0.4622 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0814 0.0814
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0051 0.2634 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.1332 0.1332
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.5821 1
Brugia malayi hypothetical protein 0.0036 0.1507 0.1507
Schistosoma mansoni intermediate filament proteins 0.0026 0.0814 0.1399
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0077 0.4622 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0093 0.5821 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.2227 0.2227
Echinococcus multilocularis lamin dm0 0.0026 0.0814 0.1399
Onchocerca volvulus Huntingtin homolog 0.0121 0.789 0.7703
Loa Loa (eye worm) hypothetical protein 0.0077 0.4622 0.4622
Echinococcus multilocularis tar DNA binding protein 0.0063 0.3526 0.6057
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0093 0.5821 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.3526 0.6057
Schistosoma mansoni tar DNA-binding protein 0.0063 0.3526 0.6057
Echinococcus granulosus intermediate filament protein 0.0026 0.0814 0.1399
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0027 0.084 0.137
Schistosoma mansoni hypothetical protein 0.0033 0.1332 0.2288
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.1332 0.1332
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.024 0.0412
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.024 0.0412
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0814 0.0814
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0077 0.4622 1
Loa Loa (eye worm) RNA binding protein 0.0063 0.3526 0.3526
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0077 0.4622 0.794
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.2227 0.3826
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.5821 1
Onchocerca volvulus 0.0149 1 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0077 0.4622 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.0051 0.2634 0.4525
Loa Loa (eye worm) hypothetical protein 0.0121 0.789 0.789
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.4622 0.5

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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