Detailed information for compound 1121992

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 476.481 | Formula: C25H24N4O6
  • H donors: 4 H acceptors: 4 LogP: 3.11 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cc2cccc(c2oc1=N)O)NCCCCCNC(=O)c1cc2cccc(c2oc1=N)O
  • InChi: 1S/C25H24N4O6/c26-22-16(12-14-6-4-8-18(30)20(14)34-22)24(32)28-10-2-1-3-11-29-25(33)17-13-15-7-5-9-19(31)21(15)35-23(17)27/h4-9,12-13,26-27,30-31H,1-3,10-11H2,(H,28,32)(H,29,33)
  • InChiKey: DBQRLXHFGRMCSF-UHFFFAOYSA-N  

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 multilocularis voltage dependent calcium channel type d subunit 0.0159 0.1065 0.224
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0082 0.0106 0.0106
Echinococcus granulosus voltage dependent calcium channel subunit 0.0362 0.3578 0.8107
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0082 0.0106 0.0054
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0159 0.1065 0.224
Loa Loa (eye worm) hypothetical protein 0.0159 0.1065 0.1065
Echinococcus multilocularis geminin 0.0355 0.3481 0.7882
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0159 0.1065 0.1065
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0159 0.1065 0.224
Schistosoma mansoni hypothetical protein 0.0355 0.3481 0.7894
Echinococcus granulosus voltage dependent calcium channel subunit 0.0165 0.1135 0.2403
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0159 0.1065 0.224
Loa Loa (eye worm) hypothetical protein 0.0082 0.0106 0.0106
Echinococcus multilocularis voltage dependent calcium channel 0.0159 0.1065 0.224
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0159 0.1065 0.2282
Schistosoma mansoni high voltage-activated calcium channel beta subunit 2 0.0428 0.4388 1
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0362 0.3578 0.8107
Echinococcus multilocularis voltage dependent calcium channel 0.0159 0.1065 0.224
Echinococcus granulosus voltage dependent calcium channel 0.0159 0.1065 0.224
Echinococcus granulosus high voltage activated calcium channel beta 0.0428 0.4388 1
Onchocerca volvulus 0.0082 0.0106 0.5
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0159 0.1065 0.224
Echinococcus multilocularis high voltage activated calcium channel beta 0.0428 0.4388 1
Loa Loa (eye worm) calcium channel 0.0159 0.1065 0.1065
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0159 0.1065 0.224
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0158 0.1052 0.2251
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0159 0.1065 0.224
Loa Loa (eye worm) voltage-dependent calcium channel beta 2a subunit 0.0882 1 1
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0165 0.1135 0.2403
Echinococcus granulosus geminin 0.0355 0.3481 0.7882
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0159 0.1065 0.2282
Schistosoma mansoni serine-rich repeat protein 0.0085 0.015 0.0156
Schistosoma mansoni hypothetical protein 0.0355 0.3481 0.7894
Schistosoma mansoni hypothetical protein 0.0085 0.015 0.0156
Schistosoma mansoni voltage-gated cation channel 0.0159 0.1065 0.2282

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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