Detailed information for compound 1737328

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 475.38 | Formula: C25H23BrN4O
  • H donors: 1 H acceptors: 3 LogP: 5.3 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc(c(c1)CN1CCN(CC1)c1nc(nc2c1cccc2)c1ccccc1)O
  • InChi: 1S/C25H23BrN4O/c26-20-10-11-23(31)19(16-20)17-29-12-14-30(15-13-29)25-21-8-4-5-9-22(21)27-24(28-25)18-6-2-1-3-7-18/h1-11,16,31H,12-15,17H2
  • InChiKey: UBYXRHQNLBVOIJ-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
Loa Loa (eye worm) matrixin family protein 0.0124 0.1257 0.1257
Loa Loa (eye worm) hypothetical protein 0.0056 0.0248 0.0248
Echinococcus multilocularis Tolloid protein 1 0.0096 0.0845 0.0766
Brugia malayi Matrixin family protein 0.0136 0.1423 0.1349
Onchocerca volvulus 0.0716 1 1
Mycobacterium leprae PROBABLE HYDROLASE 0.0068 0.0429 0.5
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0068 0.0429 0.0347
Brugia malayi Matrixin family protein 0.0056 0.0248 0.0165
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.0096 0.0845 0.0811
Loa Loa (eye worm) hypothetical protein 0.0056 0.0248 0.0248
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0068 0.0429 0.5
Onchocerca volvulus 0.008 0.0594 0.0355
Loa Loa (eye worm) matrix metalloproteinase 0.0056 0.0248 0.0248
Echinococcus granulosus sn1 specific diacylglycerol lipase beta 0.0716 1 1
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0082 0.063 0.0582
Leishmania major hypothetical protein, conserved 0.0716 1 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0085 0.0085
Trypanosoma cruzi hypothetical protein, conserved 0.0716 1 0.5
Onchocerca volvulus Matrilysin homolog 0.0124 0.1257 0.1035
Loa Loa (eye worm) AStacin protease 0.006 0.0311 0.0311
Trichomonas vaginalis lipase containing protein, putative 0.0716 1 0.5
Loa Loa (eye worm) matrixin family protein 0.0136 0.1423 0.1423
Schistosoma mansoni hypothetical protein 0.008 0.0594 0.0544
Onchocerca volvulus Matrix metalloproteinase homolog 0.0124 0.1257 0.1035
Schistosoma mansoni microtubule-associated protein tau 0.0679 0.9454 1
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0204 0.2432 0.2367
Loa Loa (eye worm) hypothetical protein 0.0093 0.0787 0.0787
Loa Loa (eye worm) lipase 0.0716 1 1
Brugia malayi Matrixin family protein 0.0056 0.0248 0.0165
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0096 0.0845 0.0845
Loa Loa (eye worm) hypothetical protein 0.0068 0.0429 0.0429
Echinococcus multilocularis sn1 specific diacylglycerol lipase beta 0.0716 1 1
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0204 0.2432 0.2367
Trypanosoma brucei lipase domain protein, putative 0.0716 1 0.5
Brugia malayi Matrixin family protein 0.0056 0.0248 0.0165
Trichomonas vaginalis lipase containing protein, putative 0.0716 1 0.5
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0056 0.0248 0.0174
Brugia malayi Matrixin family protein 0.0056 0.0248 0.0165
Trypanosoma cruzi hypothetical protein, conserved 0.0716 1 0.5
Trypanosoma brucei lipase domain protein, putative 0.0716 1 0.5
Brugia malayi Hemopexin family protein 0.008 0.0594 0.0514
Echinococcus granulosus Tolloid protein 1 0.0096 0.0845 0.0766
Mycobacterium ulcerans hydrolase 0.0068 0.0429 0.5
Echinococcus granulosus microtubule associated protein 2 0.0679 0.9454 0.9449
Loa Loa (eye worm) hypothetical protein 0.0056 0.0248 0.0248
Echinococcus multilocularis microtubule associated protein 2 0.0679 0.9454 0.9449

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 13 % Cytotoxicity against human HepG2 cells assessed as cellular growth at 50 uM incubated for 1 hr prior to TNF alpha stimulation measured after 48 hrs by SRB assay ChEMBL. 23219854

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.