Detailed information for compound 1621398

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 474.679 | Formula: C34H38N2++
  • H donors: 0 H acceptors: 0 LogP: 8.71 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: C[n+]1ccc2c(c1Cc1ccc(cc1)Cc1[n+](C)ccc3c1c(ccc3)C(C)C)c(ccc2)C(C)C
  • InChi: 1S/C34H38N2/c1-23(2)29-11-7-9-27-17-19-35(5)31(33(27)29)21-25-13-15-26(16-14-25)22-32-34-28(18-20-36(32)6)10-8-12-30(34)24(3)4/h7-20,23-24H,21-22H2,1-6H3/q+2
  • InChiKey: ZEPJIQOJKFSZPM-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

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 neuroglian 0.0027 0.043 0.0771
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0201 0.5576 0.5
Loa Loa (eye worm) hypothetical protein 0.0022 0.0267 0.0267
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0201 0.5576 0.5
Echinococcus granulosus twitchin 0.0029 0.0484 0.0868
Trichomonas vaginalis CMGC family protein kinase 0.0201 0.5576 0.5
Echinococcus granulosus Immunoglobulin 0.0022 0.0267 0.0479
Echinococcus multilocularis Immunoglobulin 0.0022 0.0267 0.0479
Schistosoma mansoni nephrin 0.0027 0.043 0.0771
Brugia malayi hypothetical protein 0.0022 0.0267 0.0267
Echinococcus granulosus mitogen activated protein kinase 3 0.0201 0.5576 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0267 0.0267
Giardia lamblia Kinase, CMGC MAPK 0.0201 0.5576 0.5
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0201 0.5576 0.5576
Onchocerca volvulus 0.0321 0.9096 0.9763
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0201 0.5576 0.5
Echinococcus multilocularis mitogen activated protein kinase 3 0.0201 0.5576 1
Echinococcus multilocularis roundabout 2 0.0034 0.0638 0.1145
Brugia malayi Fibronectin type III domain containing protein 0.0022 0.0267 0.0267
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0029 0.0475 0.0852
Trichomonas vaginalis CMGC family protein kinase 0.0201 0.5576 0.5
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0201 0.5576 0.5
Echinococcus granulosus roundabout 2 0.0034 0.0638 0.1145
Echinococcus granulosus defective proboscis extension response 0.0022 0.0267 0.0479
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0201 0.5576 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0201 0.5576 0.5
Echinococcus granulosus mitogen activated protein kinase 0.0201 0.5576 1
Echinococcus multilocularis Immunoglobulin 0.0022 0.0267 0.0479
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0201 0.5576 0.5
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0014 0.0054 0.0054
Onchocerca volvulus Tyrosine kinase homolog 0.0328 0.9317 1
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0022 0.0267 0.0479
Loa Loa (eye worm) hypothetical protein 0.0022 0.0267 0.0267
Brugia malayi MAP kinase sur-1 0.0201 0.5576 0.5576
Schistosoma mansoni serine/threonine protein kinase 0.0201 0.5576 1
Schistosoma mansoni vesicular amine transporter 0.0022 0.0267 0.0479
Loa Loa (eye worm) hypothetical protein 0.0022 0.0267 0.0267
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0201 0.5576 0.5
Loa Loa (eye worm) hypothetical protein 0.0022 0.0267 0.0267
Brugia malayi Immunoglobulin I-set domain containing protein 0.0022 0.0267 0.0267
Schistosoma mansoni cell adhesion molecule 0.0029 0.0475 0.0852
Schistosoma mansoni tyrosine kinase 0.0015 0.0058 0.0104
Trypanosoma brucei protein kinase, putative 0.0201 0.5576 0.5
Loa Loa (eye worm) hypothetical protein 0.0034 0.0638 0.0638
Loa Loa (eye worm) hypothetical protein 0.0034 0.0638 0.0638
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0022 0.0267 0.0479
Loa Loa (eye worm) hypothetical protein 0.0029 0.0475 0.0475
Echinococcus multilocularis mitogen activated protein kinase 0.0201 0.5576 1
Echinococcus multilocularis neuroglian 0.0027 0.043 0.0771
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0022 0.0267 0.0479
Trichomonas vaginalis CMGC family protein kinase 0.0201 0.5576 0.5
Loa Loa (eye worm) hypothetical protein 0.0022 0.0267 0.0267
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0201 0.5576 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.
 
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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.