Detailed information for compound 1764942

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 567.681 | Formula: C32H37N7O3
  • H donors: 3 H acceptors: 4 LogP: 3.62 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 2
  • SMILES: CN(CCCNc1nc(nc2c1cccc2)c1ccccc1NC(=O)c1ccc(cc1)NC(=O)CN1CCOCC1)C
  • InChi: 1S/C32H37N7O3/c1-38(2)17-7-16-33-30-25-8-3-5-10-27(25)35-31(37-30)26-9-4-6-11-28(26)36-32(41)23-12-14-24(15-13-23)34-29(40)22-39-18-20-42-21-19-39/h3-6,8-15H,7,16-22H2,1-2H3,(H,34,40)(H,36,41)(H,33,35,37)
  • InChiKey: JHLQNNKQPKZETD-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
Loa Loa (eye worm) STE/STE20/TAO protein kinase 0.0441 0.9353 1
Onchocerca volvulus 0.0073 0.1002 0.2166
Loa Loa (eye worm) glutaminase 2 0.0265 0.5348 0.5718
Loa Loa (eye worm) hypothetical protein 0.0073 0.1002 0.1072
Mycobacterium ulcerans glutaminase 0.0265 0.5348 1
Echinococcus granulosus serine:threonine protein kinase TAO1 0.0441 0.9353 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0347 0.0371
Onchocerca volvulus 0.0073 0.1002 0.2166
Loa Loa (eye worm) hypothetical protein 0.0073 0.1002 0.1072
Brugia malayi beta-lactamase family protein 0.0073 0.1002 0.1072
Onchocerca volvulus 0.0073 0.1002 0.2166
Loa Loa (eye worm) hypothetical protein 0.0034 0.0106 0.0113
Loa Loa (eye worm) hypothetical protein 0.005 0.0463 0.0496
Brugia malayi Pre-SET motif family protein 0.0205 0.3986 0.4261
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0073 0.1002 0.1072
Loa Loa (eye worm) glutaminase 0.0265 0.5348 0.5718
Echinococcus multilocularis geminin 0.0165 0.3091 0.3305
Mycobacterium leprae Probable lipase LipE 0.0073 0.1002 0.5
Trichomonas vaginalis set domain proteins, putative 0.0233 0.4628 0.8345
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0347 0.0371
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0347 0.0371
Mycobacterium leprae conserved hypothetical protein 0.0073 0.1002 0.5
Loa Loa (eye worm) hypothetical protein 0.0073 0.1002 0.1072
Leishmania major hypothetical protein, conserved 0.0073 0.1002 0.5
Toxoplasma gondii ABC1 family protein 0.0073 0.1002 1
Brugia malayi beta-lactamase 0.0073 0.1002 0.1072
Brugia malayi hypothetical protein 0.0441 0.9353 1
Brugia malayi glutaminase DH11.1 0.0265 0.5348 0.5718
Echinococcus multilocularis serine:threonine protein kinase TAO1 0.0441 0.9353 1
Brugia malayi Serine/threonine-protein kinase SULU 0.0441 0.9353 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0463 0.0496
Echinococcus granulosus geminin 0.0165 0.3091 0.3305
Trypanosoma cruzi hypothetical protein, conserved 0.0073 0.1002 0.5
Schistosoma mansoni hypothetical protein 0.0034 0.0106 0.0113
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0205 0.3986 0.4261
Loa Loa (eye worm) beta-lactamase 0.0073 0.1002 0.1072
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0463 0.0496
Schistosoma mansoni hypothetical protein 0.0165 0.3091 0.3305
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0347 0.0371
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0073 0.1002 0.1072
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0073 0.1002 0.1072
Schistosoma mansoni hypothetical protein 0.0165 0.3091 0.3305
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0106 0.0113
Echinococcus multilocularis beta LACTamase domain containing family member 0.0073 0.1002 0.1072
Trypanosoma cruzi hypothetical protein, conserved 0.0073 0.1002 0.5
Schistosoma mansoni glutaminase 0.0265 0.5348 0.5718
Schistosoma mansoni serine/threonine protein kinase 0.0441 0.9353 1
Brugia malayi beta-lactamase family protein 0.0073 0.1002 0.1072
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0347 0.0371
Plasmodium vivax hypothetical protein, conserved 0.0073 0.1002 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0463 0.0496
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0347 0.0371
Loa Loa (eye worm) hypothetical protein 0.0073 0.1002 0.1072
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0347 0.0371
Trichomonas vaginalis glutaminase, putative 0.0265 0.5348 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.1002 0.1072
Onchocerca volvulus 0.0233 0.4628 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0347 0.0371
Trypanosoma brucei hypothetical protein, conserved 0.0073 0.1002 0.5
Echinococcus granulosus beta LACTamase domain containing family member 0.0073 0.1002 0.1072
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0073 0.1002 0.1072
Loa Loa (eye worm) hypothetical protein 0.0073 0.1002 0.1072
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0347 0.0371

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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