Detailed information for compound 2073018

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 427.502 | Formula: C24H25N7O
  • H donors: 1 H acceptors: 5 LogP: 2.44 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CN(Cc1ccccn1)Cc1ccccn1)NCc1nn(nc1C)c1ccccc1
  • InChi: 1S/C24H25N7O/c1-19-23(29-31(28-19)22-11-3-2-4-12-22)15-27-24(32)18-30(16-20-9-5-7-13-25-20)17-21-10-6-8-14-26-21/h2-14H,15-18H2,1H3,(H,27,32)
  • InChiKey: OXRNEOJTWAPAOD-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
Brugia malayi ADAMTS-like protease 0.239 0.0413 0.0088
Brugia malayi Hemopexin family protein 1.0392 0.3139 0.4576
Brugia malayi angiogenesis inhibito 0.239 0.0413 0.0088
Brugia malayi ADAM-TS Spacer 1 family protein 0.7793 0.2254 0.3118
Onchocerca volvulus 1.0392 0.3139 0.4487
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 1.0464 0.3164 0.5
Brugia malayi Matrixin family protein 0.8591 0.2526 0.3566
Loa Loa (eye worm) hypothetical protein 0.246 0.0437 0.0679
Loa Loa (eye worm) hypothetical protein 0.8591 0.2526 0.3925
Loa Loa (eye worm) matrix metalloproteinase 0.8591 0.2526 0.3925
Mycobacterium ulcerans hydrolase 1.0464 0.3164 0.5
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.4774 0.1225 0.3114
Echinococcus multilocularis a disintegrin and metalloproteinase with 0.3255 0.0708 0.0361
Loa Loa (eye worm) hypothetical protein 0.8591 0.2526 0.3925
Loa Loa (eye worm) hypothetical protein 0.7793 0.2254 0.3503
Brugia malayi Matrixin family protein 0.8591 0.2526 0.3566
Onchocerca volvulus Matrilysin homolog 0.8591 0.2526 0.3469
Loa Loa (eye worm) hypothetical protein 0.2234 0.036 0.0559
Brugia malayi Matrixin family protein 0.8591 0.2526 0.3566
Brugia malayi Matrixin family protein 2.0063 0.6435 1
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 3.0527 1 1
Echinococcus granulosus a disintegrin and metalloproteinase with 0.3255 0.0708 0.0361
Onchocerca volvulus 0.8591 0.2526 0.3469
Brugia malayi Matrixin family protein 0.8591 0.2526 0.3566
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 1.0464 0.3164 0.4616
Loa Loa (eye worm) angiogenesis inhibito 0.1212 0.0012 0.0018
Loa Loa (eye worm) matrixin family protein 1.9055 0.6091 0.9466
Schistosoma mansoni ADAMTS5 peptidase (M12 family) 0.3255 0.0708 0.1252
Loa Loa (eye worm) hypothetical protein 0.9672 0.2894 0.4497
Loa Loa (eye worm) hypothetical protein 1.0464 0.3164 0.4917
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.9672 0.2894 0.9117
Schistosoma mansoni hypothetical protein 1.0392 0.3139 1
Onchocerca volvulus Matrix metalloproteinase homolog 1.9055 0.6091 0.9389
Loa Loa (eye worm) matrixin family protein 2.0063 0.6435 1
Onchocerca volvulus Matrilysin homolog 2.0135 0.6459 1
Mycobacterium leprae PROBABLE HYDROLASE 1.0464 0.3164 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.

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